├── .gitignore ├── LICENSE ├── README.md ├── __init__.py ├── compound_generation.py ├── decoding.py ├── generate.ipynb ├── generators.py ├── getDataset.sh ├── getWeights.sh ├── networks.py ├── prepare_data.py └── train.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/README.md -------------------------------------------------------------------------------- /__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/__init__.py -------------------------------------------------------------------------------- /compound_generation.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/compound_generation.py -------------------------------------------------------------------------------- /decoding.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/decoding.py -------------------------------------------------------------------------------- /generate.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/generate.ipynb -------------------------------------------------------------------------------- /generators.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/generators.py -------------------------------------------------------------------------------- /getDataset.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/getDataset.sh -------------------------------------------------------------------------------- /getWeights.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/getWeights.sh -------------------------------------------------------------------------------- /networks.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/networks.py -------------------------------------------------------------------------------- /prepare_data.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/prepare_data.py -------------------------------------------------------------------------------- /train.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/playmolecule/ligdream/HEAD/train.py --------------------------------------------------------------------------------