Python库 | deepchem-2.6.0.dev20211215044436.tar.gz
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Python库 | deepchem-2.6.0.dev20211215044436.tar.gz （214个子文件） 
setup.cfg 1KB README.md 8KB PKG-INFO 1KB PKG-INFO 1KB kaggle_features.py 162KB layers.py 128KB datasets.py 99KB transformers.py 79KB splitters.py 52KB keras_model.py 49KB graph_models.py 48KB data_loader.py 47KB torch_model.py 46KB graph_features.py 34KB run_benchmark_models.py 30KB metric.py 27KB lcnn_featurizer.py 25KB grid_featurizers.py 24KB layers.py 24KB jax_model.py 24KB seqtoseq.py 23KB ppo.py 22KB optimizers.py 22KB gan.py 22KB rdkit_utils.py 21KB a2c.py 21KB fcnet.py 20KB toxcast_datasets.py 18KB data_utils.py 17KB rdkit_grid_featurizer.py 17KB mol_graph_conv_featurizer.py 17KB evaluate.py 17KB pose_generation.py 17KB lcnn.py 17KB losses.py 17KB molecule_feature_utils.py 16KB base_classes.py 16KB noncovalent_utils.py 16KB robust_multitask.py 16KB chemnet_layers.py 15KB mat.py 15KB pinns_model.py 15KB gaussian_process.py 15KB bace_features.py 14KB gat.py 14KB dnasim.py 14KB gcn.py 13KB chemnet_models.py 13KB cgcnn.py 13KB mol_graphs.py 13KB molgan.py 12KB run_benchmark.py 12KB test_evaluate.py 12KB fragment_utils.py 12KB atomic_conv.py 12KB coordinate_box_utils.py 12KB progressive_multitask.py 12KB check_availability.py 11KB supports.py 11KB complex_atomic_coordinates.py 11KB cnn.py 11KB pdbqt_utils.py 11KB attentivefp.py 11KB pagtn.py 11KB mpnn.py 11KB splif_fingerprints.py 10KB smiles_tokenizer.py 10KB chembl_tasks.py 10KB normalizing_flows.py 10KB coulomb_matrices.py 10KB docking_utils.py 9KB contact_fingerprints.py 9KB maml.py 9KB text_cnn.py 9KB graph_data.py 9KB grid_search.py 9KB conformers.py 9KB __init__.py 8KB test_molecule_feature_utils.py 8KB load_dataset_template.py 8KB molgan_featurizer.py 8KB molnet_loader.py 8KB geometry_utils.py 8KB mat_featurizer.py 7KB pdbbind_datasets.py 7KB kinase_datasets.py 7KB models.py 7KB test_rdkit_utils.py 7KB voxel_utils.py 7KB uspto_datasets.py 7KB genomic_metrics.py 7KB atomic_conformation.py 7KB cgcnn_featurizer.py 7KB smiles_to_image.py 6KB factors_datasets.py 6KB pcba_datasets.py 6KB pose_scoring.py 6KB uv_datasets.py 6KB pytorch_datasets.py 6KB kaggle_datasets.py 6KB共 214 条
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