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Digest |
Size |
| README.rst |
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18260 |
| graph_attention_student/README.rst |
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|
658 |
| graph_attention_student/VERSION |
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6 |
| graph_attention_student/__init__.py |
sha256=ZOGj7Hk2Fwol0MmIHoxgUuj_nS7lak2Hdcotqwismhw
|
90 |
| graph_attention_student/assets/models/aqsoldb/fingerprint.pb |
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|
55 |
| graph_attention_student/assets/models/aqsoldb/keras_metadata.pb |
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|
129234 |
| graph_attention_student/assets/models/aqsoldb/process.py |
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|
6574 |
| graph_attention_student/assets/models/aqsoldb/saved_model.pb |
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3114696 |
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684509 |
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8445 |
| graph_attention_student/cli.py |
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1063 |
| graph_attention_student/data.py |
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44065 |
| graph_attention_student/examples/00_quickstart.py |
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1095 |
| graph_attention_student/examples/01_train_custom.py |
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2507 |
| graph_attention_student/examples/02_saving_models.py |
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| graph_attention_student/examples/03_loading_models.py |
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3919 |
| graph_attention_student/examples/04_counterfactuals.py |
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| graph_attention_student/examples/05_predict_smiles.py |
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| graph_attention_student/examples/README.rst |
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| graph_attention_student/examples/__init__.py |
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| graph_attention_student/examples/assets/aqsoldb_process.py |
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| graph_attention_student/experiments/README.rst |
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| graph_attention_student/experiments/__init__.py |
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| graph_attention_student/experiments/assets/README.rst |
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| graph_attention_student/experiments/assets/splits/fia_49k_test_indices.json |
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39648 |
| graph_attention_student/experiments/assets/splits/fia_49k_val_indices.json |
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7740 |
| graph_attention_student/experiments/assets/splits/tadf_test_indices.json |
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7756 |
| graph_attention_student/experiments/assets/splits/test_indices__logp.json |
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7740 |
| graph_attention_student/experiments/batch.sh |
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1250 |
| graph_attention_student/experiments/plot_explanations.py |
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11063 |
| graph_attention_student/experiments/plot_explanations__megan.py |
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7234 |
| graph_attention_student/experiments/plot_explanations__megan__compas.py |
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5007 |
| graph_attention_student/experiments/plot_explanations__megan__fia_49.py |
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4127 |
| graph_attention_student/experiments/plot_explanations__megan__mutagenicity.py |
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| graph_attention_student/experiments/plot_explanations__megan__tadf.py |
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| graph_attention_student/experiments/template_sub_experiment.py |
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| graph_attention_student/experiments/vgd_torch.py |
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38108 |
| graph_attention_student/experiments/vgd_torch__megan.py |
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33632 |
| graph_attention_student/experiments/vgd_torch__megan__aqsoldb.py |
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9908 |
| graph_attention_student/experiments/vgd_torch__megan__ba2motifs.py |
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| graph_attention_student/experiments/vgd_torch__megan__compas.py |
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| graph_attention_student/experiments/vgd_torch__megan__compas2.py |
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| graph_attention_student/experiments/vgd_torch__megan__count_carbon.py |
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| graph_attention_student/experiments/vgd_torch__megan__fia_49k.py |
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| graph_attention_student/experiments/vgd_torch__megan__mutagenicity.py |
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| graph_attention_student/experiments/vgd_torch__megan__rb_dual_motifs.py |
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| graph_attention_student/experiments/vgd_torch__megan__tadf.py |
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| graph_attention_student/scripts/azo_bridge.png |
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| graph_attention_student/scripts/no2_4.png |
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| graph_attention_student/scripts/predict_examples.ipynb |
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| graph_attention_student/scripts/so3_2.png |
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| graph_attention_student/scripts/so3_3.png |
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| graph_attention_student/scripts/sol_1.png |
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| graph_attention_student/templates/table_element_mean.tex.j2 |
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| graph_attention_student/testing.py |
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| graph_attention_student/torch/advanced.py |
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