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Browse files- .gitattributes +1 -0
- property_prediction/mp_total_magnetization_per_atom/best_model.pt +3 -0
- property_prediction/mp_total_magnetization_per_atom/checkpoint_150.pt +3 -0
- property_prediction/mp_total_magnetization_per_atom/config.json +73 -0
- property_prediction/mp_total_magnetization_per_atom/history_train.json +1 -0
- property_prediction/mp_total_magnetization_per_atom/history_val.json +1 -0
- property_prediction/mp_total_magnetization_per_atom/ids_train_val_test.json +0 -0
- property_prediction/mp_total_magnetization_per_atom/test_predictions.csv +0 -0
- property_prediction/mp_total_magnetization_per_atom/test_predictions_correlation.jpg +3 -0
.gitattributes
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property_prediction/mp_bulk_modulus/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_total_dielectric_constant/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_shear_modulus/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_bulk_modulus/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_total_dielectric_constant/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_shear_modulus/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_total_magnetization_per_atom/test_predictions_correlation.jpg filter=lfs diff=lfs merge=lfs -text
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property_prediction/mp_total_magnetization_per_atom/best_model.pt
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property_prediction/mp_total_magnetization_per_atom/checkpoint_150.pt
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property_prediction/mp_total_magnetization_per_atom/config.json
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{
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"version": "NA",
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"dataset": "custom",
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"target": "target",
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"atom_features": "cgcnn",
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"neighbor_strategy": "k-nearest",
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"epochs": 150,
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"filename": "sample",
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"criterion": "mse",
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"optimizer": "adamw",
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"scheduler": "onecycle",
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"pin_memory": false,
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"use_canonize": true,
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"num_workers": 4,
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"dist_backend": "nccl",
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"dist_url": "env://",
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"n_early_stopping": null,
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"output_dir": "./mp_mag_per_atom_gpu4",
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"matrix_input": false,
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"pyg_input": true,
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"use_lattice": true,
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"model": {
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"name": "iComformer",
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"classification": false
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}
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}
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property_prediction/mp_total_magnetization_per_atom/history_train.json
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property_prediction/mp_total_magnetization_per_atom/history_val.json
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property_prediction/mp_total_magnetization_per_atom/test_predictions_correlation.jpg
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