[{"title":"( 130 个子文件 2.35MB ) ocp:https","children":[{"title":"make.bat <span style='color:#111;'> 799B </span>","children":null,"spread":false},{"title":".isort.cfg <span style='color:#111;'> 113B </span>","children":null,"spread":false},{"title":"LICENSE.cgcnn <span style='color:#111;'> 1.04KB </span>","children":null,"spread":false},{"title":".flake8 <span style='color:#111;'> 125B </span>","children":null,"spread":false},{"title":".gitignore <span style='color:#111;'> 1.16KB </span>","children":null,"spread":false},{"title":"data_visualization.ipynb <span style='color:#111;'> 4.41MB </span>","children":null,"spread":false},{"title":"train_s2ef_example.ipynb <span style='color:#111;'> 19.57KB </span>","children":null,"spread":false},{"title":"lmdb_dataset_creation.ipynb <span style='color:#111;'> 19.09KB </span>","children":null,"spread":false},{"title":"data_preprocessing.ipynb <span style='color:#111;'> 12.02KB </span>","children":null,"spread":false},{"title":"atoms.json <span style='color:#111;'> 4.77KB </span>","children":null,"spread":false},{"title":"atoms.json <span style='color:#111;'> 4.77KB </span>","children":null,"spread":false},{"title":"Makefile <span style='color:#111;'> 638B </span>","children":null,"spread":false},{"title":"DATASET.md <span style='color:#111;'> 10.15KB </span>","children":null,"spread":false},{"title":"TRAIN.md <span style='color:#111;'> 7.74KB </span>","children":null,"spread":false},{"title":"README.md <span style='color:#111;'> 6.69KB </span>","children":null,"spread":false},{"title":"MODELS.md <span style='color:#111;'> 5.48KB </span>","children":null,"spread":false},{"title":"LICENSE.md <span style='color:#111;'> 1.06KB </span>","children":null,"spread":false},{"title":"LICENSE.mmf <span style='color:#111;'> 1.49KB </span>","children":null,"spread":false},{"title":"khot_embeddings.py <span style='color:#111;'> 100.72KB </span>","children":null,"spread":false},{"title":"forces_trainer.py <span style='color:#111;'> 29.85KB </span>","children":null,"spread":false},{"title":"base_trainer.py <span style='color:#111;'> 26.94KB </span>","children":null,"spread":false},{"title":"utils.py <span style='color:#111;'> 20.10KB </span>","children":null,"spread":false},{"title":"continuous_embeddings.py <span style='color:#111;'> 19.02KB </span>","children":null,"spread":false},{"title":"forcenet.py <span style='color:#111;'> 17.97KB </span>","children":null,"spread":false},{"title":"dimenet_plus_plus.py <span style='color:#111;'> 15.19KB </span>","children":null,"spread":false},{"title":"energy_trainer.py <span style='color:#111;'> 11.97KB </span>","children":null,"spread":false},{"title":"basis.py <span style='color:#111;'> 9.44KB </span>","children":null,"spread":false},{"title":"atoms_to_graphs.py <span style='color:#111;'> 8.73KB </span>","children":null,"spread":false},{"title":"evaluator.py <span style='color:#111;'> 8.41KB </span>","children":null,"spread":false},{"title":"cgcnn.py <span style='color:#111;'> 8.01KB </span>","children":null,"spread":false},{"title":"dimenet.py <span style='color:#111;'> 7.17KB </span>","children":null,"spread":false},{"title":"registry.py <span style='color:#111;'> 6.05KB </span>","children":null,"spread":false},{"title":"lbfgs_torch.py <span style='color:#111;'> 5.63KB </span>","children":null,"spread":false},{"title":"download_data.py <span style='color:#111;'> 5.16KB </span>","children":null,"spread":false},{"title":"schnet.py <span style='color:#111;'> 4.98KB </span>","children":null,"spread":false},{"title":"trajectory_lmdb.py <span style='color:#111;'> 4.98KB </span>","children":null,"spread":false},{"title":"meter.py <span style='color:#111;'> 4.78KB </span>","children":null,"spread":false},{"title":"preprocess_ef.py <span style='color:#111;'> 4.68KB </span>","children":null,"spread":false},{"title":"test_atoms_to_graphs.py <span style='color:#111;'> 4.64KB </span>","children":null,"spread":false},{"title":"main.py <span style='color:#111;'> 4.60KB </span>","children":null,"spread":false},{"title":"distutils.py <span style='color:#111;'> 4.33KB </span>","children":null,"spread":false},{"title":"flags.py <span style='color:#111;'> 4.33KB </span>","children":null,"spread":false},{"title":"data_parallel.py <span style='color:#111;'> 3.33KB </span>","children":null,"spread":false},{"title":"ase_utils.py <span style='color:#111;'> 3.25KB </span>","children":null,"spread":false},{"title":"test_evaluator.py <span style='color:#111;'> 3.07KB </span>","children":null,"spread":false},{"title":"transforms.py <span style='color:#111;'> 2.78KB </span>","children":null,"spread":false},{"title":"logger.py <span style='color:#111;'> 2.68KB </span>","children":null,"spread":false},{"title":"test_cgcnn.py <span style='color:#111;'> 2.60KB </span>","children":null,"spread":false},{"title":"test_dimenet.py <span style='color:#111;'> 2.46KB </span>","children":null,"spread":false},{"title":"test_schnet.py <span style='color:#111;'> 2.41KB </span>","children":null,"spread":false},{"title":"conf.py <span style='color:#111;'> 2.12KB </span>","children":null,"spread":false},{"title":"single_point_lmdb.py <span style='color:#111;'> 1.87KB </span>","children":null,"spread":false},{"title":"atomic_radii.py <span style='color:#111;'> 1.63KB </span>","children":null,"spread":false},{"title":"test_forcenet.py <span style='color:#111;'> 1.56KB </span>","children":null,"spread":false},{"title":"activations.py <span style='color:#111;'> 1.56KB </span>","children":null,"spread":false},{"title":"uncompress.py <span style='color:#111;'> 1.54KB </span>","children":null,"spread":false},{"title":"ml_relaxation.py <span style='color:#111;'> 1.49KB </span>","children":null,"spread":false},{"title":"make_submission_file.py <span style='color:#111;'> 1.44KB </span>","children":null,"spread":false},{"title":"test_pbc.py <span style='color:#111;'> 1.44KB </span>","children":null,"spread":false},{"title":"normalizer.py <span style='color:#111;'> 1.34KB </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 794B </span>","children":null,"spread":false},{"title":"base.py <span style='color:#111;'> 630B </span>","children":null,"spread":false},{"title":"setup.py <span style='color:#111;'> 495B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 403B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 376B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 228B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 222B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 178B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 178B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 178B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 178B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 178B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 178B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 177B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 0B </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 0B </span>","children":null,"spread":false},{"title":"training.rst <span style='color:#111;'> 6.71KB </span>","children":null,"spread":false},{"title":"getting_started.rst <span style='color:#111;'> 2.78KB </span>","children":null,"spread":false},{"title":"index.rst <span style='color:#111;'> 2.08KB </span>","children":null,"spread":false},{"title":"submission.rst <span style='color:#111;'> 1.56KB </span>","children":null,"spread":false},{"title":"dataset.rst <span style='color:#111;'> 241B </span>","children":null,"spread":false},{"title":"trainer.rst <span style='color:#111;'> 222B </span>","children":null,"spread":false},{"title":"model.rst <span style='color:#111;'> 214B </span>","children":null,"spread":false},{"title":"pyproject.toml <span style='color:#111;'> 174B </span>","children":null,"spread":false},{"title":"requirements.txt <span style='color:#111;'> 9B </span>","children":null,"spread":false},{"title":".pre-commit-config.yaml <span style='color:#111;'> 417B </span>","children":null,"spread":false},{"title":"config.yml <span style='color:#111;'> 1.89KB </span>","children":null,"spread":false},{"title":"dpp10.7M_forceonly.yml <span style='color:#111;'> 1.11KB </span>","children":null,"spread":false},{"title":"dpp_energyonly.yml <span style='color:#111;'> 1.11KB </span>","children":null,"spread":false},{"title":"dpp_forceonly.yml <span style='color:#111;'> 1.11KB </span>","children":null,"spread":false},{"title":"fn_forceonly.yml <span style='color:#111;'> 958B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 583B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 582B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 581B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 565B </span>","children":null,"spread":false},{"title":"dimenet.yml <span style='color:#111;'> 557B </span>","children":null,"spread":false},{"title":"dimenet.yml <span style='color:#111;'> 557B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 541B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 540B </span>","children":null,"spread":false},{"title":"dpp.yml <span style='color:#111;'> 539B </span>","children":null,"spread":false},{"title":"......","children":null,"spread":false},{"title":"<span style='color:steelblue;'>文件过多,未全部展示</span>","children":null,"spread":false}],"spread":true}]