├── README.md ├── datasets ├── __init__.py ├── energy.py └── molecule.py ├── eval_vae.py ├── figs ├── confgf.gif └── framework.png ├── models ├── cnf_edge │ ├── __init__.py │ ├── cnf.py │ ├── odefunc.py │ ├── odegnn.py │ ├── odemlp.py │ ├── spectral_norm.py │ └── utils.py ├── common.py ├── distgeom.py ├── edgecnf.py ├── mcmc.py └── vae.py ├── train_vae.py └── utils ├── chem.py ├── eval.py ├── evaluation.py ├── metrics.py ├── misc.py ├── rmoutlier.py ├── rmsd.py ├── smiles.py └── transforms.py /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MinkaiXu/ConfVAE-ICML21/HEAD/README.md -------------------------------------------------------------------------------- /datasets/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MinkaiXu/ConfVAE-ICML21/HEAD/datasets/__init__.py 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