├── DiffDock_SingleComplex.ipynb ├── LICENSE ├── README.md └── data ├── ligand.sdf └── protein.pdb /DiffDock_SingleComplex.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/suneelbvs/DiffDock/HEAD/DiffDock_SingleComplex.ipynb -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/suneelbvs/DiffDock/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/suneelbvs/DiffDock/HEAD/README.md -------------------------------------------------------------------------------- /data/ligand.sdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/suneelbvs/DiffDock/HEAD/data/ligand.sdf -------------------------------------------------------------------------------- /data/protein.pdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/suneelbvs/DiffDock/HEAD/data/protein.pdb --------------------------------------------------------------------------------