├── .gitignore ├── LICENSE ├── README.md ├── data └── download_dataset.sh ├── environment.yml ├── example.py ├── models ├── __init__.py ├── gan.py └── vae.py ├── optimizers ├── __init__.py ├── gan.py └── vae.py └── utils ├── __init__.py ├── layers.py ├── molecular_metrics.py ├── progress_bar.py ├── sparse_molecular_dataset.py ├── trainer.py └── utils.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/nicola-decao/MolGAN/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/nicola-decao/MolGAN/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 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