Upload with huggingface_hub
Browse files- checkpoint-49400/config.json +33 -0
- checkpoint-49400/optimizer.pt +3 -0
- checkpoint-49400/pytorch_model.bin +3 -0
- checkpoint-49400/rng_state.pth +3 -0
- checkpoint-49400/scheduler.pt +3 -0
- checkpoint-49400/trainer_state.json +1154 -0
- checkpoint-49400/training_args.bin +3 -0
- config.json +33 -0
- pdbbindfull.out +528 -0
- pytorch_model.bin +3 -0
- runs/Apr09_14-56-31_lotan/1649516197.1034896/events.out.tfevents.1649516197.lotan.2910198.1 +3 -0
- runs/Apr09_14-56-31_lotan/events.out.tfevents.1649516197.lotan.2910198.0 +3 -0
- training_args.bin +3 -0
checkpoint-49400/config.json
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{
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"_name_or_path": "data/saved_models/our_90epochs_saved_model",
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"architectures": [
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"RobertaForSelfiesClassification"
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],
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"attention_probs_dropout_prob": 0.1,
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"bos_token_id": 0,
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"classifier_dropout": null,
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"eos_token_id": 2,
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"hidden_act": "gelu",
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"hidden_dropout_prob": 0.1,
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"hidden_size": 768,
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"id2label": {
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"0": "LABEL_0"
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},
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"initializer_range": 0.02,
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"intermediate_size": 3072,
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"label2id": {
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"LABEL_0": 0
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},
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"layer_norm_eps": 1e-12,
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"max_position_embeddings": 514,
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"model_type": "roberta",
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"num_attention_heads": 4,
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| 25 |
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"num_hidden_layers": 12,
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"pad_token_id": 1,
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"position_embedding_type": "absolute",
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"torch_dtype": "float32",
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"transformers_version": "4.15.0",
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"type_vocab_size": 1,
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"use_cache": true,
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"vocab_size": 800
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}
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checkpoint-49400/optimizer.pt
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version https://git-lfs.github.com/spec/v1
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oid sha256:0d169e334a17b7ce3cf10931e1802ac211875216b186c2bfc17471a3349d5bc5
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size 693374749
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checkpoint-49400/pytorch_model.bin
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version https://git-lfs.github.com/spec/v1
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oid sha256:06f8fbd3d483a40043dfc4ed03d1d7f9d1c7387420b6f553e384b6d7e93d2f13
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size 349077673
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checkpoint-49400/rng_state.pth
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version https://git-lfs.github.com/spec/v1
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oid sha256:0774dfa0312cea23978c476d3a4aa3d7be5eefe120a864c972c1d64a8ddfd4f6
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size 14503
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checkpoint-49400/scheduler.pt
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version https://git-lfs.github.com/spec/v1
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oid sha256:023ca11131eae1c7b31b63b372141621a6d26eb9246062a4b4d206ee0840f748
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size 623
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checkpoint-49400/trainer_state.json
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| 1 |
+
Some weights of the model checkpoint at data/saved_models/our_90epochs_saved_model were not used when initializing RobertaForSelfiesClassification: ['lm_head.dense.bias', 'lm_head.bias', 'lm_head.layer_norm.bias', 'lm_head.layer_norm.weight', 'lm_head.dense.weight']
|
| 2 |
+
- This IS expected if you are initializing RobertaForSelfiesClassification from the checkpoint of a model trained on another task or with another architecture (e.g. initializing a BertForSequenceClassification model from a BertForPreTraining model).
|
| 3 |
+
- This IS NOT expected if you are initializing RobertaForSelfiesClassification from the checkpoint of a model that you expect to be exactly identical (initializing a BertForSequenceClassification model from a BertForSequenceClassification model).
|
| 4 |
+
Some weights of RobertaForSelfiesClassification were not initialized from the model checkpoint at data/saved_models/our_90epochs_saved_model and are newly initialized: ['classifier.dense.bias', 'classifier.dense.weight', 'classifier.out_proj.weight', 'classifier.out_proj.bias', 'roberta.pooler.dense.bias', 'roberta.pooler.dense.weight']
|
| 5 |
+
You should probably TRAIN this model on a down-stream task to be able to use it for predictions and inference.
|
| 6 |
+
Not using a scaler.
|
| 7 |
+
***** Running training *****
|
| 8 |
+
Num examples = 7898
|
| 9 |
+
Num Epochs = 50
|
| 10 |
+
Instantaneous batch size per device = 8
|
| 11 |
+
Total train batch size (w. parallel, distributed & accumulation) = 8
|
| 12 |
+
Gradient Accumulation steps = 1
|
| 13 |
+
Total optimization steps = 49400
|
| 14 |
+
{'loss': 4.6519, 'learning_rate': 9.898785425101214e-06, 'epoch': 0.51}
|
| 15 |
+
***** Running Evaluation *****
|
| 16 |
+
Num examples = 985
|
| 17 |
+
Batch size = 8
|
| 18 |
+
{'eval_loss': 2.3328564167022705, 'eval_mse': 2.3328561782836914, 'eval_rmse': 1.5273690223693848, 'eval_mae': 1.2115871906280518, 'eval_runtime': 2.139, 'eval_samples_per_second': 460.504, 'eval_steps_per_second': 57.972, 'epoch': 1.0}
|
| 19 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-988
|
| 20 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-988/config.json
|
| 21 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-988/pytorch_model.bin
|
| 22 |
+
{'loss': 1.9813, 'learning_rate': 9.79757085020243e-06, 'epoch': 1.01}
|
| 23 |
+
{'loss': 1.7364, 'learning_rate': 9.696356275303645e-06, 'epoch': 1.52}
|
| 24 |
+
***** Running Evaluation *****
|
| 25 |
+
Num examples = 985
|
| 26 |
+
Batch size = 8
|
| 27 |
+
{'eval_loss': 2.25815749168396, 'eval_mse': 2.25815749168396, 'eval_rmse': 1.5027166604995728, 'eval_mae': 1.1845210790634155, 'eval_runtime': 2.2991, 'eval_samples_per_second': 428.436, 'eval_steps_per_second': 53.935, 'epoch': 2.0}
|
| 28 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-1976
|
| 29 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-1976/config.json
|
| 30 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-1976/pytorch_model.bin
|
| 31 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-988] due to args.save_total_limit
|
| 32 |
+
{'loss': 1.6471, 'learning_rate': 9.595141700404859e-06, 'epoch': 2.02}
|
| 33 |
+
{'loss': 1.4318, 'learning_rate': 9.493927125506074e-06, 'epoch': 2.53}
|
| 34 |
+
***** Running Evaluation *****
|
| 35 |
+
Num examples = 985
|
| 36 |
+
Batch size = 8
|
| 37 |
+
{'eval_loss': 2.2711498737335205, 'eval_mse': 2.2711498737335205, 'eval_rmse': 1.5070334672927856, 'eval_mae': 1.195154070854187, 'eval_runtime': 1.9177, 'eval_samples_per_second': 513.633, 'eval_steps_per_second': 64.66, 'epoch': 3.0}
|
| 38 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-2964
|
| 39 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-2964/config.json
|
| 40 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-2964/pytorch_model.bin
|
| 41 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-1976] due to args.save_total_limit
|
| 42 |
+
{'loss': 1.3929, 'learning_rate': 9.392712550607288e-06, 'epoch': 3.04}
|
| 43 |
+
{'loss': 1.2099, 'learning_rate': 9.291497975708503e-06, 'epoch': 3.54}
|
| 44 |
+
***** Running Evaluation *****
|
| 45 |
+
Num examples = 985
|
| 46 |
+
Batch size = 8
|
| 47 |
+
{'eval_loss': 2.5615780353546143, 'eval_mse': 2.5615780353546143, 'eval_rmse': 1.60049307346344, 'eval_mae': 1.2618587017059326, 'eval_runtime': 2.4694, 'eval_samples_per_second': 398.879, 'eval_steps_per_second': 50.214, 'epoch': 4.0}
|
| 48 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-3952
|
| 49 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-3952/config.json
|
| 50 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-3952/pytorch_model.bin
|
| 51 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-2964] due to args.save_total_limit
|
| 52 |
+
{'loss': 1.1585, 'learning_rate': 9.190283400809717e-06, 'epoch': 4.05}
|
| 53 |
+
{'loss': 0.9984, 'learning_rate': 9.089068825910932e-06, 'epoch': 4.55}
|
| 54 |
+
***** Running Evaluation *****
|
| 55 |
+
Num examples = 985
|
| 56 |
+
Batch size = 8
|
| 57 |
+
{'eval_loss': 2.386498212814331, 'eval_mse': 2.386498212814331, 'eval_rmse': 1.5448294878005981, 'eval_mae': 1.2156014442443848, 'eval_runtime': 2.1201, 'eval_samples_per_second': 464.611, 'eval_steps_per_second': 58.489, 'epoch': 5.0}
|
| 58 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-4940
|
| 59 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-4940/config.json
|
| 60 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-4940/pytorch_model.bin
|
| 61 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-3952] due to args.save_total_limit
|
| 62 |
+
{'loss': 1.0114, 'learning_rate': 8.987854251012147e-06, 'epoch': 5.06}
|
| 63 |
+
{'loss': 0.897, 'learning_rate': 8.886639676113361e-06, 'epoch': 5.57}
|
| 64 |
+
***** Running Evaluation *****
|
| 65 |
+
Num examples = 985
|
| 66 |
+
Batch size = 8
|
| 67 |
+
{'eval_loss': 2.3048605918884277, 'eval_mse': 2.3048605918884277, 'eval_rmse': 1.5181766748428345, 'eval_mae': 1.186144471168518, 'eval_runtime': 2.4807, 'eval_samples_per_second': 397.063, 'eval_steps_per_second': 49.986, 'epoch': 6.0}
|
| 68 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-5928
|
| 69 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-5928/config.json
|
| 70 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-5928/pytorch_model.bin
|
| 71 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-4940] due to args.save_total_limit
|
| 72 |
+
{'loss': 0.912, 'learning_rate': 8.785425101214575e-06, 'epoch': 6.07}
|
| 73 |
+
{'loss': 0.7973, 'learning_rate': 8.68421052631579e-06, 'epoch': 6.58}
|
| 74 |
+
***** Running Evaluation *****
|
| 75 |
+
Num examples = 985
|
| 76 |
+
Batch size = 8
|
| 77 |
+
{'eval_loss': 2.423027992248535, 'eval_mse': 2.4230284690856934, 'eval_rmse': 1.556607961654663, 'eval_mae': 1.223141074180603, 'eval_runtime': 2.3801, 'eval_samples_per_second': 413.851, 'eval_steps_per_second': 52.099, 'epoch': 7.0}
|
| 78 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-6916
|
| 79 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-6916/config.json
|
| 80 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-6916/pytorch_model.bin
|
| 81 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-5928] due to args.save_total_limit
|
| 82 |
+
{'loss': 0.8141, 'learning_rate': 8.582995951417005e-06, 'epoch': 7.09}
|
| 83 |
+
{'loss': 0.7115, 'learning_rate': 8.481781376518219e-06, 'epoch': 7.59}
|
| 84 |
+
***** Running Evaluation *****
|
| 85 |
+
Num examples = 985
|
| 86 |
+
Batch size = 8
|
| 87 |
+
{'eval_loss': 2.51936936378479, 'eval_mse': 2.51936936378479, 'eval_rmse': 1.587252140045166, 'eval_mae': 1.2446390390396118, 'eval_runtime': 2.2497, 'eval_samples_per_second': 437.844, 'eval_steps_per_second': 55.119, 'epoch': 8.0}
|
| 88 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-7904
|
| 89 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-7904/config.json
|
| 90 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-7904/pytorch_model.bin
|
| 91 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-6916] due to args.save_total_limit
|
| 92 |
+
{'loss': 0.7455, 'learning_rate': 8.380566801619434e-06, 'epoch': 8.1}
|
| 93 |
+
{'loss': 0.6548, 'learning_rate': 8.279352226720648e-06, 'epoch': 8.6}
|
| 94 |
+
***** Running Evaluation *****
|
| 95 |
+
Num examples = 985
|
| 96 |
+
Batch size = 8
|
| 97 |
+
{'eval_loss': 2.3894152641296387, 'eval_mse': 2.3894152641296387, 'eval_rmse': 1.5457733869552612, 'eval_mae': 1.20915687084198, 'eval_runtime': 2.012, 'eval_samples_per_second': 489.572, 'eval_steps_per_second': 61.631, 'epoch': 9.0}
|
| 98 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-8892
|
| 99 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-8892/config.json
|
| 100 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-8892/pytorch_model.bin
|
| 101 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-7904] due to args.save_total_limit
|
| 102 |
+
{'loss': 0.6625, 'learning_rate': 8.178137651821862e-06, 'epoch': 9.11}
|
| 103 |
+
{'loss': 0.6466, 'learning_rate': 8.076923076923077e-06, 'epoch': 9.62}
|
| 104 |
+
***** Running Evaluation *****
|
| 105 |
+
Num examples = 985
|
| 106 |
+
Batch size = 8
|
| 107 |
+
{'eval_loss': 2.3797826766967773, 'eval_mse': 2.3797826766967773, 'eval_rmse': 1.5426543951034546, 'eval_mae': 1.209175944328308, 'eval_runtime': 1.9282, 'eval_samples_per_second': 510.852, 'eval_steps_per_second': 64.31, 'epoch': 10.0}
|
| 108 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-9880
|
| 109 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-9880/config.json
|
| 110 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-9880/pytorch_model.bin
|
| 111 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-8892] due to args.save_total_limit
|
| 112 |
+
{'loss': 0.6429, 'learning_rate': 7.975708502024292e-06, 'epoch': 10.12}
|
| 113 |
+
{'loss': 0.6218, 'learning_rate': 7.874493927125508e-06, 'epoch': 10.63}
|
| 114 |
+
***** Running Evaluation *****
|
| 115 |
+
Num examples = 985
|
| 116 |
+
Batch size = 8
|
| 117 |
+
{'eval_loss': 2.325528383255005, 'eval_mse': 2.325528383255005, 'eval_rmse': 1.5249682664871216, 'eval_mae': 1.197866678237915, 'eval_runtime': 2.2819, 'eval_samples_per_second': 431.658, 'eval_steps_per_second': 54.341, 'epoch': 11.0}
|
| 118 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-10868
|
| 119 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-10868/config.json
|
| 120 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-10868/pytorch_model.bin
|
| 121 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-9880] due to args.save_total_limit
|
| 122 |
+
{'loss': 0.596, 'learning_rate': 7.773279352226721e-06, 'epoch': 11.13}
|
| 123 |
+
{'loss': 0.5498, 'learning_rate': 7.672064777327935e-06, 'epoch': 11.64}
|
| 124 |
+
***** Running Evaluation *****
|
| 125 |
+
Num examples = 985
|
| 126 |
+
Batch size = 8
|
| 127 |
+
{'eval_loss': 2.391416072845459, 'eval_mse': 2.391416072845459, 'eval_rmse': 1.5464204549789429, 'eval_mae': 1.2055319547653198, 'eval_runtime': 2.3484, 'eval_samples_per_second': 419.443, 'eval_steps_per_second': 52.803, 'epoch': 12.0}
|
| 128 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-11856
|
| 129 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-11856/config.json
|
| 130 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-11856/pytorch_model.bin
|
| 131 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-10868] due to args.save_total_limit
|
| 132 |
+
{'loss': 0.5617, 'learning_rate': 7.570850202429151e-06, 'epoch': 12.15}
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| 133 |
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{'loss': 0.5403, 'learning_rate': 7.469635627530365e-06, 'epoch': 12.65}
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***** Running Evaluation *****
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Num examples = 985
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Batch size = 8
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{'eval_loss': 2.4148483276367188, 'eval_mse': 2.4148483276367188, 'eval_rmse': 1.5539782047271729, 'eval_mae': 1.2168691158294678, 'eval_runtime': 2.3371, 'eval_samples_per_second': 421.463, 'eval_steps_per_second': 53.057, 'epoch': 13.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-12844
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Configuration saved in our_pdbbindfull_model/checkpoint-12844/config.json
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Model weights saved in our_pdbbindfull_model/checkpoint-12844/pytorch_model.bin
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-11856] due to args.save_total_limit
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| 142 |
+
{'loss': 0.5424, 'learning_rate': 7.368421052631579e-06, 'epoch': 13.16}
|
| 143 |
+
{'loss': 0.5392, 'learning_rate': 7.267206477732795e-06, 'epoch': 13.66}
|
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+
***** Running Evaluation *****
|
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Num examples = 985
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Batch size = 8
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+
{'eval_loss': 2.429582357406616, 'eval_mse': 2.429582357406616, 'eval_rmse': 1.5587117671966553, 'eval_mae': 1.2232253551483154, 'eval_runtime': 1.971, 'eval_samples_per_second': 499.752, 'eval_steps_per_second': 62.913, 'epoch': 14.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-13832
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Configuration saved in our_pdbbindfull_model/checkpoint-13832/config.json
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Model weights saved in our_pdbbindfull_model/checkpoint-13832/pytorch_model.bin
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-12844] due to args.save_total_limit
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| 152 |
+
{'loss': 0.5105, 'learning_rate': 7.165991902834008e-06, 'epoch': 14.17}
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+
{'loss': 0.5224, 'learning_rate': 7.064777327935223e-06, 'epoch': 14.68}
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+
***** Running Evaluation *****
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Num examples = 985
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Batch size = 8
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+
{'eval_loss': 2.279872417449951, 'eval_mse': 2.279872417449951, 'eval_rmse': 1.5099246501922607, 'eval_mae': 1.1799190044403076, 'eval_runtime': 2.2712, 'eval_samples_per_second': 433.694, 'eval_steps_per_second': 54.597, 'epoch': 15.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-14820
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Configuration saved in our_pdbbindfull_model/checkpoint-14820/config.json
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Model weights saved in our_pdbbindfull_model/checkpoint-14820/pytorch_model.bin
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-13832] due to args.save_total_limit
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+
{'loss': 0.5082, 'learning_rate': 6.963562753036438e-06, 'epoch': 15.18}
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+
{'loss': 0.4868, 'learning_rate': 6.862348178137653e-06, 'epoch': 15.69}
|
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+
***** Running Evaluation *****
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Num examples = 985
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Batch size = 8
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+
{'eval_loss': 2.309877634048462, 'eval_mse': 2.309877634048462, 'eval_rmse': 1.519828200340271, 'eval_mae': 1.1822220087051392, 'eval_runtime': 1.9368, 'eval_samples_per_second': 508.564, 'eval_steps_per_second': 64.022, 'epoch': 16.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-15808
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Configuration saved in our_pdbbindfull_model/checkpoint-15808/config.json
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Model weights saved in our_pdbbindfull_model/checkpoint-15808/pytorch_model.bin
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-14820] due to args.save_total_limit
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{'loss': 0.5021, 'learning_rate': 6.761133603238867e-06, 'epoch': 16.19}
|
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{'loss': 0.4702, 'learning_rate': 6.6599190283400816e-06, 'epoch': 16.7}
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+
***** Running Evaluation *****
|
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Num examples = 985
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Batch size = 8
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+
{'eval_loss': 2.205157518386841, 'eval_mse': 2.205157518386841, 'eval_rmse': 1.4849772453308105, 'eval_mae': 1.1669542789459229, 'eval_runtime': 2.2927, 'eval_samples_per_second': 429.627, 'eval_steps_per_second': 54.085, 'epoch': 17.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-16796
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Configuration saved in our_pdbbindfull_model/checkpoint-16796/config.json
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Model weights saved in our_pdbbindfull_model/checkpoint-16796/pytorch_model.bin
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|
| 182 |
+
{'loss': 0.4905, 'learning_rate': 6.558704453441296e-06, 'epoch': 17.21}
|
| 183 |
+
{'loss': 0.4665, 'learning_rate': 6.457489878542511e-06, 'epoch': 17.71}
|
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+
***** Running Evaluation *****
|
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+
Num examples = 985
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Batch size = 8
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+
{'eval_loss': 2.323201894760132, 'eval_mse': 2.323201894760132, 'eval_rmse': 1.5242053270339966, 'eval_mae': 1.1936134099960327, 'eval_runtime': 2.1851, 'eval_samples_per_second': 450.772, 'eval_steps_per_second': 56.747, 'epoch': 18.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-17784
|
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+
Configuration saved in our_pdbbindfull_model/checkpoint-17784/config.json
|
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+
Model weights saved in our_pdbbindfull_model/checkpoint-17784/pytorch_model.bin
|
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-16796] due to args.save_total_limit
|
| 192 |
+
{'loss': 0.4431, 'learning_rate': 6.356275303643725e-06, 'epoch': 18.22}
|
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+
{'loss': 0.483, 'learning_rate': 6.2550607287449395e-06, 'epoch': 18.72}
|
| 194 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
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Batch size = 8
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+
{'eval_loss': 2.3569979667663574, 'eval_mse': 2.3569979667663574, 'eval_rmse': 1.5352517366409302, 'eval_mae': 1.2059428691864014, 'eval_runtime': 6.1451, 'eval_samples_per_second': 160.29, 'eval_steps_per_second': 20.179, 'epoch': 19.0}
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-18772
|
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+
Configuration saved in our_pdbbindfull_model/checkpoint-18772/config.json
|
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+
Model weights saved in our_pdbbindfull_model/checkpoint-18772/pytorch_model.bin
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-17784] due to args.save_total_limit
|
| 202 |
+
{'loss': 0.4433, 'learning_rate': 6.153846153846155e-06, 'epoch': 19.23}
|
| 203 |
+
{'loss': 0.4561, 'learning_rate': 6.0526315789473685e-06, 'epoch': 19.74}
|
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+
***** Running Evaluation *****
|
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+
Num examples = 985
|
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+
Batch size = 8
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| 207 |
+
{'eval_loss': 2.313786268234253, 'eval_mse': 2.313786268234253, 'eval_rmse': 1.5211135149002075, 'eval_mae': 1.190987229347229, 'eval_runtime': 6.1814, 'eval_samples_per_second': 159.348, 'eval_steps_per_second': 20.06, 'epoch': 20.0}
|
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-19760
|
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Configuration saved in our_pdbbindfull_model/checkpoint-19760/config.json
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+
Model weights saved in our_pdbbindfull_model/checkpoint-19760/pytorch_model.bin
|
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+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-18772] due to args.save_total_limit
|
| 212 |
+
{'loss': 0.4688, 'learning_rate': 5.951417004048583e-06, 'epoch': 20.24}
|
| 213 |
+
{'loss': 0.4577, 'learning_rate': 5.850202429149798e-06, 'epoch': 20.75}
|
| 214 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
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+
Batch size = 8
|
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+
{'eval_loss': 2.2783560752868652, 'eval_mse': 2.2783560752868652, 'eval_rmse': 1.5094224214553833, 'eval_mae': 1.1627191305160522, 'eval_runtime': 6.5272, 'eval_samples_per_second': 150.907, 'eval_steps_per_second': 18.997, 'epoch': 21.0}
|
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-20748
|
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+
Configuration saved in our_pdbbindfull_model/checkpoint-20748/config.json
|
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+
Model weights saved in our_pdbbindfull_model/checkpoint-20748/pytorch_model.bin
|
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+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-19760] due to args.save_total_limit
|
| 222 |
+
{'loss': 0.4261, 'learning_rate': 5.748987854251013e-06, 'epoch': 21.26}
|
| 223 |
+
{'loss': 0.4251, 'learning_rate': 5.6477732793522265e-06, 'epoch': 21.76}
|
| 224 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
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+
Batch size = 8
|
| 227 |
+
{'eval_loss': 2.3060412406921387, 'eval_mse': 2.3060412406921387, 'eval_rmse': 1.5185655355453491, 'eval_mae': 1.176581621170044, 'eval_runtime': 6.411, 'eval_samples_per_second': 153.641, 'eval_steps_per_second': 19.342, 'epoch': 22.0}
|
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-21736
|
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+
Configuration saved in our_pdbbindfull_model/checkpoint-21736/config.json
|
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+
Model weights saved in our_pdbbindfull_model/checkpoint-21736/pytorch_model.bin
|
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+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-20748] due to args.save_total_limit
|
| 232 |
+
{'loss': 0.4235, 'learning_rate': 5.546558704453442e-06, 'epoch': 22.27}
|
| 233 |
+
{'loss': 0.4477, 'learning_rate': 5.445344129554656e-06, 'epoch': 22.77}
|
| 234 |
+
***** Running Evaluation *****
|
| 235 |
+
Num examples = 985
|
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+
Batch size = 8
|
| 237 |
+
{'eval_loss': 2.3399007320404053, 'eval_mse': 2.339900493621826, 'eval_rmse': 1.5296733379364014, 'eval_mae': 1.1934117078781128, 'eval_runtime': 6.5358, 'eval_samples_per_second': 150.708, 'eval_steps_per_second': 18.972, 'epoch': 23.0}
|
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Saving model checkpoint to our_pdbbindfull_model/checkpoint-22724
|
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+
Configuration saved in our_pdbbindfull_model/checkpoint-22724/config.json
|
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+
Model weights saved in our_pdbbindfull_model/checkpoint-22724/pytorch_model.bin
|
| 241 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-21736] due to args.save_total_limit
|
| 242 |
+
{'loss': 0.3849, 'learning_rate': 5.344129554655872e-06, 'epoch': 23.28}
|
| 243 |
+
{'loss': 0.4274, 'learning_rate': 5.242914979757085e-06, 'epoch': 23.79}
|
| 244 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
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+
Batch size = 8
|
| 247 |
+
{'eval_loss': 2.2604634761810303, 'eval_mse': 2.2604634761810303, 'eval_rmse': 1.503483772277832, 'eval_mae': 1.1710097789764404, 'eval_runtime': 6.4581, 'eval_samples_per_second': 152.522, 'eval_steps_per_second': 19.201, 'epoch': 24.0}
|
| 248 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-23712
|
| 249 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-23712/config.json
|
| 250 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-23712/pytorch_model.bin
|
| 251 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-22724] due to args.save_total_limit
|
| 252 |
+
{'loss': 0.402, 'learning_rate': 5.1417004048583e-06, 'epoch': 24.29}
|
| 253 |
+
{'loss': 0.4176, 'learning_rate': 5.040485829959515e-06, 'epoch': 24.8}
|
| 254 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
| 256 |
+
Batch size = 8
|
| 257 |
+
{'eval_loss': 2.277299165725708, 'eval_mse': 2.277299404144287, 'eval_rmse': 1.5090724229812622, 'eval_mae': 1.1737443208694458, 'eval_runtime': 6.5489, 'eval_samples_per_second': 150.407, 'eval_steps_per_second': 18.935, 'epoch': 25.0}
|
| 258 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-24700
|
| 259 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-24700/config.json
|
| 260 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-24700/pytorch_model.bin
|
| 261 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-23712] due to args.save_total_limit
|
| 262 |
+
{'loss': 0.4278, 'learning_rate': 4.939271255060729e-06, 'epoch': 25.3}
|
| 263 |
+
{'loss': 0.4105, 'learning_rate': 4.838056680161944e-06, 'epoch': 25.81}
|
| 264 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
| 266 |
+
Batch size = 8
|
| 267 |
+
{'eval_loss': 2.3140110969543457, 'eval_mse': 2.3140110969543457, 'eval_rmse': 1.521187424659729, 'eval_mae': 1.1842072010040283, 'eval_runtime': 6.5703, 'eval_samples_per_second': 149.918, 'eval_steps_per_second': 18.873, 'epoch': 26.0}
|
| 268 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-25688
|
| 269 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-25688/config.json
|
| 270 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-25688/pytorch_model.bin
|
| 271 |
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Deleting older checkpoint [our_pdbbindfull_model/checkpoint-24700] due to args.save_total_limit
|
| 272 |
+
{'loss': 0.404, 'learning_rate': 4.736842105263158e-06, 'epoch': 26.32}
|
| 273 |
+
{'loss': 0.3843, 'learning_rate': 4.635627530364373e-06, 'epoch': 26.82}
|
| 274 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
| 276 |
+
Batch size = 8
|
| 277 |
+
{'eval_loss': 2.2196788787841797, 'eval_mse': 2.2196786403656006, 'eval_rmse': 1.489858627319336, 'eval_mae': 1.1630769968032837, 'eval_runtime': 4.2474, 'eval_samples_per_second': 231.905, 'eval_steps_per_second': 29.194, 'epoch': 27.0}
|
| 278 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-26676
|
| 279 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-26676/config.json
|
| 280 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-26676/pytorch_model.bin
|
| 281 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-25688] due to args.save_total_limit
|
| 282 |
+
{'loss': 0.4395, 'learning_rate': 4.534412955465588e-06, 'epoch': 27.33}
|
| 283 |
+
{'loss': 0.3985, 'learning_rate': 4.433198380566802e-06, 'epoch': 27.83}
|
| 284 |
+
***** Running Evaluation *****
|
| 285 |
+
Num examples = 985
|
| 286 |
+
Batch size = 8
|
| 287 |
+
{'eval_loss': 2.2451844215393066, 'eval_mse': 2.2451844215393066, 'eval_rmse': 1.4983938932418823, 'eval_mae': 1.1653474569320679, 'eval_runtime': 4.5968, 'eval_samples_per_second': 214.279, 'eval_steps_per_second': 26.975, 'epoch': 28.0}
|
| 288 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-27664
|
| 289 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-27664/config.json
|
| 290 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-27664/pytorch_model.bin
|
| 291 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-26676] due to args.save_total_limit
|
| 292 |
+
{'loss': 0.3633, 'learning_rate': 4.3319838056680166e-06, 'epoch': 28.34}
|
| 293 |
+
{'loss': 0.4055, 'learning_rate': 4.230769230769231e-06, 'epoch': 28.85}
|
| 294 |
+
***** Running Evaluation *****
|
| 295 |
+
Num examples = 985
|
| 296 |
+
Batch size = 8
|
| 297 |
+
{'eval_loss': 2.1678428649902344, 'eval_mse': 2.1678428649902344, 'eval_rmse': 1.4723596572875977, 'eval_mae': 1.1424471139907837, 'eval_runtime': 3.4579, 'eval_samples_per_second': 284.854, 'eval_steps_per_second': 35.86, 'epoch': 29.0}
|
| 298 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-28652
|
| 299 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-28652/config.json
|
| 300 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-28652/pytorch_model.bin
|
| 301 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-27664] due to args.save_total_limit
|
| 302 |
+
{'loss': 0.4101, 'learning_rate': 4.1295546558704455e-06, 'epoch': 29.35}
|
| 303 |
+
{'loss': 0.3916, 'learning_rate': 4.028340080971661e-06, 'epoch': 29.86}
|
| 304 |
+
***** Running Evaluation *****
|
| 305 |
+
Num examples = 985
|
| 306 |
+
Batch size = 8
|
| 307 |
+
{'eval_loss': 2.2453699111938477, 'eval_mse': 2.2453699111938477, 'eval_rmse': 1.4984558820724487, 'eval_mae': 1.166300654411316, 'eval_runtime': 2.9933, 'eval_samples_per_second': 329.066, 'eval_steps_per_second': 41.426, 'epoch': 30.0}
|
| 308 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-29640
|
| 309 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-29640/config.json
|
| 310 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-29640/pytorch_model.bin
|
| 311 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-28652] due to args.save_total_limit
|
| 312 |
+
{'loss': 0.3769, 'learning_rate': 3.9271255060728745e-06, 'epoch': 30.36}
|
| 313 |
+
{'loss': 0.3905, 'learning_rate': 3.825910931174089e-06, 'epoch': 30.87}
|
| 314 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
| 316 |
+
Batch size = 8
|
| 317 |
+
{'eval_loss': 2.278787136077881, 'eval_mse': 2.278787136077881, 'eval_rmse': 1.5095652341842651, 'eval_mae': 1.170925259590149, 'eval_runtime': 2.1743, 'eval_samples_per_second': 453.018, 'eval_steps_per_second': 57.03, 'epoch': 31.0}
|
| 318 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-30628
|
| 319 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-30628/config.json
|
| 320 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-30628/pytorch_model.bin
|
| 321 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-29640] due to args.save_total_limit
|
| 322 |
+
{'loss': 0.3638, 'learning_rate': 3.724696356275304e-06, 'epoch': 31.38}
|
| 323 |
+
{'loss': 0.4033, 'learning_rate': 3.6234817813765184e-06, 'epoch': 31.88}
|
| 324 |
+
***** Running Evaluation *****
|
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+
Num examples = 985
|
| 326 |
+
Batch size = 8
|
| 327 |
+
{'eval_loss': 2.218869686126709, 'eval_mse': 2.218869686126709, 'eval_rmse': 1.4895870685577393, 'eval_mae': 1.1555440425872803, 'eval_runtime': 2.8668, 'eval_samples_per_second': 343.59, 'eval_steps_per_second': 43.254, 'epoch': 32.0}
|
| 328 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-31616
|
| 329 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-31616/config.json
|
| 330 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-31616/pytorch_model.bin
|
| 331 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-30628] due to args.save_total_limit
|
| 332 |
+
{'loss': 0.3432, 'learning_rate': 3.522267206477733e-06, 'epoch': 32.39}
|
| 333 |
+
{'loss': 0.3603, 'learning_rate': 3.421052631578948e-06, 'epoch': 32.89}
|
| 334 |
+
***** Running Evaluation *****
|
| 335 |
+
Num examples = 985
|
| 336 |
+
Batch size = 8
|
| 337 |
+
{'eval_loss': 2.2483489513397217, 'eval_mse': 2.2483489513397217, 'eval_rmse': 1.4994494915008545, 'eval_mae': 1.1578136682510376, 'eval_runtime': 2.7175, 'eval_samples_per_second': 362.47, 'eval_steps_per_second': 45.631, 'epoch': 33.0}
|
| 338 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-32604
|
| 339 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-32604/config.json
|
| 340 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-32604/pytorch_model.bin
|
| 341 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-31616] due to args.save_total_limit
|
| 342 |
+
{'loss': 0.3832, 'learning_rate': 3.3198380566801623e-06, 'epoch': 33.4}
|
| 343 |
+
{'loss': 0.3955, 'learning_rate': 3.218623481781377e-06, 'epoch': 33.91}
|
| 344 |
+
***** Running Evaluation *****
|
| 345 |
+
Num examples = 985
|
| 346 |
+
Batch size = 8
|
| 347 |
+
{'eval_loss': 2.2034738063812256, 'eval_mse': 2.2034738063812256, 'eval_rmse': 1.484410285949707, 'eval_mae': 1.148417353630066, 'eval_runtime': 2.6975, 'eval_samples_per_second': 365.15, 'eval_steps_per_second': 45.968, 'epoch': 34.0}
|
| 348 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-33592
|
| 349 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-33592/config.json
|
| 350 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-33592/pytorch_model.bin
|
| 351 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-32604] due to args.save_total_limit
|
| 352 |
+
{'loss': 0.3517, 'learning_rate': 3.1174089068825913e-06, 'epoch': 34.41}
|
| 353 |
+
{'loss': 0.3802, 'learning_rate': 3.0161943319838062e-06, 'epoch': 34.92}
|
| 354 |
+
***** Running Evaluation *****
|
| 355 |
+
Num examples = 985
|
| 356 |
+
Batch size = 8
|
| 357 |
+
{'eval_loss': 2.2388076782226562, 'eval_mse': 2.238807201385498, 'eval_rmse': 1.4962644577026367, 'eval_mae': 1.1580203771591187, 'eval_runtime': 2.781, 'eval_samples_per_second': 354.184, 'eval_steps_per_second': 44.588, 'epoch': 35.0}
|
| 358 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-34580
|
| 359 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-34580/config.json
|
| 360 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-34580/pytorch_model.bin
|
| 361 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-33592] due to args.save_total_limit
|
| 362 |
+
{'loss': 0.3543, 'learning_rate': 2.9149797570850203e-06, 'epoch': 35.43}
|
| 363 |
+
{'loss': 0.3818, 'learning_rate': 2.8137651821862348e-06, 'epoch': 35.93}
|
| 364 |
+
***** Running Evaluation *****
|
| 365 |
+
Num examples = 985
|
| 366 |
+
Batch size = 8
|
| 367 |
+
{'eval_loss': 2.3153350353240967, 'eval_mse': 2.3153350353240967, 'eval_rmse': 1.5216225385665894, 'eval_mae': 1.178168773651123, 'eval_runtime': 2.7673, 'eval_samples_per_second': 355.946, 'eval_steps_per_second': 44.81, 'epoch': 36.0}
|
| 368 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-35568
|
| 369 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-35568/config.json
|
| 370 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-35568/pytorch_model.bin
|
| 371 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-34580] due to args.save_total_limit
|
| 372 |
+
{'loss': 0.3451, 'learning_rate': 2.7125506072874497e-06, 'epoch': 36.44}
|
| 373 |
+
{'loss': 0.3837, 'learning_rate': 2.6113360323886646e-06, 'epoch': 36.94}
|
| 374 |
+
***** Running Evaluation *****
|
| 375 |
+
Num examples = 985
|
| 376 |
+
Batch size = 8
|
| 377 |
+
{'eval_loss': 2.2114505767822266, 'eval_mse': 2.2114510536193848, 'eval_rmse': 1.4870948791503906, 'eval_mae': 1.1500502824783325, 'eval_runtime': 4.6473, 'eval_samples_per_second': 211.95, 'eval_steps_per_second': 26.682, 'epoch': 37.0}
|
| 378 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-36556
|
| 379 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-36556/config.json
|
| 380 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-36556/pytorch_model.bin
|
| 381 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-35568] due to args.save_total_limit
|
| 382 |
+
{'loss': 0.3335, 'learning_rate': 2.5101214574898787e-06, 'epoch': 37.45}
|
| 383 |
+
{'loss': 0.3724, 'learning_rate': 2.408906882591093e-06, 'epoch': 37.96}
|
| 384 |
+
***** Running Evaluation *****
|
| 385 |
+
Num examples = 985
|
| 386 |
+
Batch size = 8
|
| 387 |
+
{'eval_loss': 2.190290927886963, 'eval_mse': 2.190290689468384, 'eval_rmse': 1.4799630641937256, 'eval_mae': 1.1481947898864746, 'eval_runtime': 4.4593, 'eval_samples_per_second': 220.888, 'eval_steps_per_second': 27.807, 'epoch': 38.0}
|
| 388 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-37544
|
| 389 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-37544/config.json
|
| 390 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-37544/pytorch_model.bin
|
| 391 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-36556] due to args.save_total_limit
|
| 392 |
+
{'loss': 0.3631, 'learning_rate': 2.307692307692308e-06, 'epoch': 38.46}
|
| 393 |
+
{'loss': 0.3525, 'learning_rate': 2.2064777327935226e-06, 'epoch': 38.97}
|
| 394 |
+
***** Running Evaluation *****
|
| 395 |
+
Num examples = 985
|
| 396 |
+
Batch size = 8
|
| 397 |
+
{'eval_loss': 2.208022117614746, 'eval_mse': 2.208022117614746, 'eval_rmse': 1.4859415292739868, 'eval_mae': 1.1508959531784058, 'eval_runtime': 4.5419, 'eval_samples_per_second': 216.868, 'eval_steps_per_second': 27.301, 'epoch': 39.0}
|
| 398 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-38532
|
| 399 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-38532/config.json
|
| 400 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-38532/pytorch_model.bin
|
| 401 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-37544] due to args.save_total_limit
|
| 402 |
+
{'loss': 0.3589, 'learning_rate': 2.105263157894737e-06, 'epoch': 39.47}
|
| 403 |
+
{'loss': 0.3477, 'learning_rate': 2.0040485829959516e-06, 'epoch': 39.98}
|
| 404 |
+
***** Running Evaluation *****
|
| 405 |
+
Num examples = 985
|
| 406 |
+
Batch size = 8
|
| 407 |
+
{'eval_loss': 2.2591028213500977, 'eval_mse': 2.2591030597686768, 'eval_rmse': 1.5030312538146973, 'eval_mae': 1.1669268608093262, 'eval_runtime': 4.628, 'eval_samples_per_second': 212.837, 'eval_steps_per_second': 26.794, 'epoch': 40.0}
|
| 408 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-39520
|
| 409 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-39520/config.json
|
| 410 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-39520/pytorch_model.bin
|
| 411 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-38532] due to args.save_total_limit
|
| 412 |
+
{'loss': 0.3239, 'learning_rate': 1.902834008097166e-06, 'epoch': 40.49}
|
| 413 |
+
{'loss': 0.3891, 'learning_rate': 1.8016194331983807e-06, 'epoch': 40.99}
|
| 414 |
+
***** Running Evaluation *****
|
| 415 |
+
Num examples = 985
|
| 416 |
+
Batch size = 8
|
| 417 |
+
{'eval_loss': 2.2003180980682373, 'eval_mse': 2.2003180980682373, 'eval_rmse': 1.483346939086914, 'eval_mae': 1.1513614654541016, 'eval_runtime': 4.722, 'eval_samples_per_second': 208.597, 'eval_steps_per_second': 26.26, 'epoch': 41.0}
|
| 418 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-40508
|
| 419 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-40508/config.json
|
| 420 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-40508/pytorch_model.bin
|
| 421 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-39520] due to args.save_total_limit
|
| 422 |
+
{'loss': 0.3474, 'learning_rate': 1.7004048582995952e-06, 'epoch': 41.5}
|
| 423 |
+
***** Running Evaluation *****
|
| 424 |
+
Num examples = 985
|
| 425 |
+
Batch size = 8
|
| 426 |
+
{'eval_loss': 2.2396390438079834, 'eval_mse': 2.2396390438079834, 'eval_rmse': 1.4965423345565796, 'eval_mae': 1.1607612371444702, 'eval_runtime': 4.5927, 'eval_samples_per_second': 214.471, 'eval_steps_per_second': 26.999, 'epoch': 42.0}
|
| 427 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-41496
|
| 428 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-41496/config.json
|
| 429 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-41496/pytorch_model.bin
|
| 430 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-40508] due to args.save_total_limit
|
| 431 |
+
{'loss': 0.347, 'learning_rate': 1.59919028340081e-06, 'epoch': 42.0}
|
| 432 |
+
{'loss': 0.3173, 'learning_rate': 1.4979757085020244e-06, 'epoch': 42.51}
|
| 433 |
+
***** Running Evaluation *****
|
| 434 |
+
Num examples = 985
|
| 435 |
+
Batch size = 8
|
| 436 |
+
{'eval_loss': 2.2095425128936768, 'eval_mse': 2.2095425128936768, 'eval_rmse': 1.4864530563354492, 'eval_mae': 1.151437520980835, 'eval_runtime': 4.6099, 'eval_samples_per_second': 213.67, 'eval_steps_per_second': 26.899, 'epoch': 43.0}
|
| 437 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-42484
|
| 438 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-42484/config.json
|
| 439 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-42484/pytorch_model.bin
|
| 440 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-41496] due to args.save_total_limit
|
| 441 |
+
{'loss': 0.3691, 'learning_rate': 1.3967611336032391e-06, 'epoch': 43.02}
|
| 442 |
+
{'loss': 0.335, 'learning_rate': 1.2955465587044536e-06, 'epoch': 43.52}
|
| 443 |
+
***** Running Evaluation *****
|
| 444 |
+
Num examples = 985
|
| 445 |
+
Batch size = 8
|
| 446 |
+
{'eval_loss': 2.1894824504852295, 'eval_mse': 2.1894824504852295, 'eval_rmse': 1.4796899557113647, 'eval_mae': 1.146257758140564, 'eval_runtime': 4.6282, 'eval_samples_per_second': 212.828, 'eval_steps_per_second': 26.793, 'epoch': 44.0}
|
| 447 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-43472
|
| 448 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-43472/config.json
|
| 449 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-43472/pytorch_model.bin
|
| 450 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-42484] due to args.save_total_limit
|
| 451 |
+
{'loss': 0.3441, 'learning_rate': 1.1943319838056681e-06, 'epoch': 44.03}
|
| 452 |
+
{'loss': 0.3443, 'learning_rate': 1.0931174089068828e-06, 'epoch': 44.53}
|
| 453 |
+
***** Running Evaluation *****
|
| 454 |
+
Num examples = 985
|
| 455 |
+
Batch size = 8
|
| 456 |
+
{'eval_loss': 2.2246272563934326, 'eval_mse': 2.2246272563934326, 'eval_rmse': 1.491518497467041, 'eval_mae': 1.1584477424621582, 'eval_runtime': 4.7245, 'eval_samples_per_second': 208.487, 'eval_steps_per_second': 26.246, 'epoch': 45.0}
|
| 457 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-44460
|
| 458 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-44460/config.json
|
| 459 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-44460/pytorch_model.bin
|
| 460 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-43472] due to args.save_total_limit
|
| 461 |
+
{'loss': 0.3242, 'learning_rate': 9.919028340080973e-07, 'epoch': 45.04}
|
| 462 |
+
{'loss': 0.3604, 'learning_rate': 8.906882591093118e-07, 'epoch': 45.55}
|
| 463 |
+
***** Running Evaluation *****
|
| 464 |
+
Num examples = 985
|
| 465 |
+
Batch size = 8
|
| 466 |
+
{'eval_loss': 2.2161009311676025, 'eval_mse': 2.2161009311676025, 'eval_rmse': 1.4886574745178223, 'eval_mae': 1.1535395383834839, 'eval_runtime': 4.6251, 'eval_samples_per_second': 212.97, 'eval_steps_per_second': 26.81, 'epoch': 46.0}
|
| 467 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-45448
|
| 468 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-45448/config.json
|
| 469 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-45448/pytorch_model.bin
|
| 470 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-44460] due to args.save_total_limit
|
| 471 |
+
{'loss': 0.3321, 'learning_rate': 7.894736842105263e-07, 'epoch': 46.05}
|
| 472 |
+
{'loss': 0.3422, 'learning_rate': 6.882591093117409e-07, 'epoch': 46.56}
|
| 473 |
+
***** Running Evaluation *****
|
| 474 |
+
Num examples = 985
|
| 475 |
+
Batch size = 8
|
| 476 |
+
{'eval_loss': 2.2106308937072754, 'eval_mse': 2.2106311321258545, 'eval_rmse': 1.4868191480636597, 'eval_mae': 1.1536109447479248, 'eval_runtime': 4.7086, 'eval_samples_per_second': 209.193, 'eval_steps_per_second': 26.335, 'epoch': 47.0}
|
| 477 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-46436
|
| 478 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-46436/config.json
|
| 479 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-46436/pytorch_model.bin
|
| 480 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-45448] due to args.save_total_limit
|
| 481 |
+
{'loss': 0.3223, 'learning_rate': 5.870445344129555e-07, 'epoch': 47.06}
|
| 482 |
+
{'loss': 0.3253, 'learning_rate': 4.858299595141701e-07, 'epoch': 47.57}
|
| 483 |
+
***** Running Evaluation *****
|
| 484 |
+
Num examples = 985
|
| 485 |
+
Batch size = 8
|
| 486 |
+
{'eval_loss': 2.2084391117095947, 'eval_mse': 2.2084388732910156, 'eval_rmse': 1.4860817193984985, 'eval_mae': 1.1512514352798462, 'eval_runtime': 4.6784, 'eval_samples_per_second': 210.541, 'eval_steps_per_second': 26.505, 'epoch': 48.0}
|
| 487 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-47424
|
| 488 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-47424/config.json
|
| 489 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-47424/pytorch_model.bin
|
| 490 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-46436] due to args.save_total_limit
|
| 491 |
+
{'loss': 0.3418, 'learning_rate': 3.846153846153847e-07, 'epoch': 48.08}
|
| 492 |
+
{'loss': 0.3309, 'learning_rate': 2.834008097165992e-07, 'epoch': 48.58}
|
| 493 |
+
***** Running Evaluation *****
|
| 494 |
+
Num examples = 985
|
| 495 |
+
Batch size = 8
|
| 496 |
+
{'eval_loss': 2.2103824615478516, 'eval_mse': 2.2103824615478516, 'eval_rmse': 1.486735463142395, 'eval_mae': 1.1521849632263184, 'eval_runtime': 3.2286, 'eval_samples_per_second': 305.083, 'eval_steps_per_second': 38.406, 'epoch': 49.0}
|
| 497 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-48412
|
| 498 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-48412/config.json
|
| 499 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-48412/pytorch_model.bin
|
| 500 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-47424] due to args.save_total_limit
|
| 501 |
+
{'loss': 0.3491, 'learning_rate': 1.8218623481781377e-07, 'epoch': 49.09}
|
| 502 |
+
{'loss': 0.3148, 'learning_rate': 8.097165991902835e-08, 'epoch': 49.6}
|
| 503 |
+
***** Running Evaluation *****
|
| 504 |
+
Num examples = 985
|
| 505 |
+
Batch size = 8
|
| 506 |
+
{'eval_loss': 2.2166781425476074, 'eval_mse': 2.2166783809661865, 'eval_rmse': 1.4888513088226318, 'eval_mae': 1.1540616750717163, 'eval_runtime': 4.5752, 'eval_samples_per_second': 215.291, 'eval_steps_per_second': 27.103, 'epoch': 50.0}
|
| 507 |
+
Saving model checkpoint to our_pdbbindfull_model/checkpoint-49400
|
| 508 |
+
Configuration saved in our_pdbbindfull_model/checkpoint-49400/config.json
|
| 509 |
+
Model weights saved in our_pdbbindfull_model/checkpoint-49400/pytorch_model.bin
|
| 510 |
+
Deleting older checkpoint [our_pdbbindfull_model/checkpoint-48412] due to args.save_total_limit
|
| 511 |
+
|
| 512 |
+
|
| 513 |
+
Training completed. Do not forget to share your model on huggingface.co/models =)
|
| 514 |
+
|
| 515 |
+
|
| 516 |
+
{'train_runtime': 6118.0305, 'train_samples_per_second': 64.547, 'train_steps_per_second': 8.074, 'train_loss': 0.5750620862829541, 'epoch': 50.0}
|
| 517 |
+
Metrics
|
| 518 |
+
TrainOutput(global_step=49400, training_loss=0.5750620862829541, metrics={'train_runtime': 6118.0305, 'train_samples_per_second': 64.547, 'train_steps_per_second': 8.074, 'train_loss': 0.5750620862829541, 'epoch': 50.0})
|
| 519 |
+
Saving model checkpoint to our_pdbbindfull_model
|
| 520 |
+
Configuration saved in our_pdbbindfull_model/config.json
|
| 521 |
+
Model weights saved in our_pdbbindfull_model/pytorch_model.bin
|
| 522 |
+
***** Running Prediction *****
|
| 523 |
+
Num examples = 988
|
| 524 |
+
Batch size = 8
|
| 525 |
+
|
| 526 |
+
Mean Squared Error (MSE): 2.2154239492054857
|
| 527 |
+
Root Mean Square Error (RMSE): 1.488430028320272
|
| 528 |
+
Mean Absolute Error (MAE): 1.1369174286276704
|
pytorch_model.bin
ADDED
|
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version https://git-lfs.github.com/spec/v1
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oid sha256:06f8fbd3d483a40043dfc4ed03d1d7f9d1c7387420b6f553e384b6d7e93d2f13
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