End of training

README.md

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+---
+library_name: transformers
+license: mit
+base_model: weathon/3d2smiles_pretrain
+tags:
+- generated_from_trainer
+metrics:
+- accuracy
+model-index:
+- name: 3d2smiles_finetune
+  results: []
+---
+
+<!-- This model card has been generated automatically according to the information the Trainer had access to. You
+should probably proofread and complete it, then remove this comment. -->
+
+# 3d2smiles_finetune
+
+This model is a fine-tuned version of [weathon/3d2smiles_pretrain](https://huggingface.co/weathon/3d2smiles_pretrain) on an unknown dataset.
+It achieves the following results on the evaluation set:
+- Loss: 0.4714
+- Accuracy: 0.4120
+
+## Model description
+
+More information needed
+
+## Intended uses & limitations
+
+More information needed
+
+## Training and evaluation data
+
+More information needed
+
+## Training procedure
+
+### Training hyperparameters
+
+The following hyperparameters were used during training:
+- learning_rate: 3e-05
+- train_batch_size: 32
+- eval_batch_size: 32
+- seed: 42
+- gradient_accumulation_steps: 2
+- total_train_batch_size: 64
+- optimizer: Use OptimizerNames.ADAMW_TORCH with betas=(0.9,0.999) and epsilon=1e-08 and optimizer_args=No additional optimizer arguments
+- lr_scheduler_type: linear
+- num_epochs: 10
+- mixed_precision_training: Native AMP
+
+### Training results
+
+| Training Loss | Epoch  | Step | Validation Loss | Accuracy |
+|:-------------:|:------:|:----:|:---------------:|:--------:|
+| 0.41          | 0.3774 | 10   | 0.8015          | 0.1049   |
+| 0.2302        | 0.7547 | 20   | 0.5705          | 0.1910   |
+| 0.1801        | 1.1132 | 30   | 0.5391          | 0.2509   |
+| 0.1879        | 1.4906 | 40   | 0.4875          | 0.2622   |
+| 0.1389        | 1.8679 | 50   | 0.5139          | 0.3296   |
+| 0.1634        | 2.2264 | 60   | 0.4879          | 0.3071   |
+| 0.1402        | 2.6038 | 70   | 0.4782          | 0.3221   |
+| 0.1018        | 2.9811 | 80   | 0.4901          | 0.3296   |
+| 0.0793        | 3.3396 | 90   | 0.4689          | 0.3558   |
+| 0.101         | 3.7170 | 100  | 0.4683          | 0.3633   |
+| 0.0477        | 4.0755 | 110  | 0.5388          | 0.2884   |
+| 0.0371        | 4.4528 | 120  | 0.4656          | 0.3446   |
+| 0.0479        | 4.8302 | 130  | 0.4971          | 0.3221   |
+| 0.0724        | 5.1887 | 140  | 0.4574          | 0.3708   |
+| 0.0724        | 5.5660 | 150  | 0.4835          | 0.3184   |
+| 0.0725        | 5.9434 | 160  | 0.4972          | 0.3558   |
+| 0.0315        | 6.3019 | 170  | 0.5047          | 0.4270   |
+| 0.0399        | 6.6792 | 180  | 0.4781          | 0.3933   |
+| 0.0441        | 7.0377 | 190  | 0.5256          | 0.3858   |
+| 0.0454        | 7.4151 | 200  | 0.5122          | 0.3596   |
+| 0.0355        | 7.7925 | 210  | 0.4925          | 0.4082   |
+| 0.03          | 8.1509 | 220  | 0.4900          | 0.4045   |
+| 0.0294        | 8.5283 | 230  | 0.4715          | 0.4195   |
+| 0.0239        | 8.9057 | 240  | 0.4741          | 0.4157   |
+| 0.022         | 9.2642 | 250  | 0.4644          | 0.4120   |
+| 0.0286        | 9.6415 | 260  | 0.4714          | 0.4120   |
+
+
+### Framework versions
+
+- Transformers 4.48.1
+- Pytorch 2.5.1+cu121
+- Datasets 3.2.0
+- Tokenizers 0.21.0

generation_config.json

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+{
+  "_from_model_config": true,
+  "bos_token_id": 101,
+  "eos_token_id": 102,
+  "pad_token_id": 0,
+  "transformers_version": "4.48.1"
+}