├── LICENSE ├── README.md ├── env.yaml ├── figures ├── samples.png └── wjsampling.png ├── setup.py └── voxmol ├── constants.py ├── dataset ├── __init__.py ├── create_data_geomdrugs.py ├── create_data_qm9.py └── dataset.py ├── metrics.py ├── models ├── __init__.py ├── adamw.py ├── configs │ └── unet3d_config.yml ├── ema.py └── unet3d.py ├── options.py ├── sample_wjs.py ├── train.py ├── utils.py └── voxelizer.py /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Genentech/voxmol/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Genentech/voxmol/HEAD/README.md -------------------------------------------------------------------------------- /env.yaml: -------------------------------------------------------------------------------- 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