.gitignore
.pre-commit-config.yaml
LICENSE
README.md
env.yml
generate_confs.ipynb
pyproject.toml
tutorial.ipynb
.github/workflows/release.yml
configs/drugs-base.yaml
configs/drugs-o3-scaffold.yaml
configs/drugs-o3.yaml
configs/drugs-so3.yaml
configs/qm9-base.yaml
configs/qm9-o3-gaussian-scaffold.yaml
configs/qm9-o3-gaussian.yaml
configs/qm9-o3.yaml
configs/qm9-so3-gaussian.yaml
configs/qm9-so3.yaml
etflow/__init__.py
etflow/_version.py
etflow/eval.py
etflow/eval_cov_mat.py
etflow/eval_prop.py
etflow/eval_xl.py
etflow/train.py
etflow/utils.py
etflow.egg-info/PKG-INFO
etflow.egg-info/SOURCES.txt
etflow.egg-info/dependency_links.txt
etflow.egg-info/requires.txt
etflow.egg-info/top_level.txt
etflow/commons/__init__.py
etflow/commons/configs.py
etflow/commons/covmat.py
etflow/commons/featurization.py
etflow/commons/io.py
etflow/commons/sample.py
etflow/commons/utils.py
etflow/commons/xtb.py
etflow/data/__init__.py
etflow/data/datamodule.py
etflow/data/dataset.py
etflow/data/geom.py
etflow/models/__init__.py
etflow/models/base.py
etflow/models/loss.py
etflow/models/model.py
etflow/models/utils.py
etflow/networks/__init__.py
etflow/networks/torchmd_net/__init__.py
etflow/networks/torchmd_net/model_dynamics.py
etflow/networks/torchmd_net/modules.py
etflow/networks/torchmd_net/utils.py
etflow/schedulers/CosineAnnealingWarmRestarts.py
etflow/schedulers/__init__.py
scripts/prepare_data.py
scripts/prepare_eval_csv.py