├── DUDE.py ├── PLANET.param ├── PLANET_datautils.py ├── PLANET_model.py ├── PLANET_run.py ├── PLANET_test.py ├── PLANET_train.py ├── README.md ├── chemutils.py ├── core.tar.bz2 ├── demo ├── adrb2.pdb ├── adrb2_ligand.sdf ├── mols.sdf ├── result.csv └── result.sdf ├── layers.py ├── nnutils.py ├── planet.yaml └── process_PDBBind.py /DUDE.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ComputArtCMCG/PLANET/HEAD/DUDE.py -------------------------------------------------------------------------------- /PLANET.param: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ComputArtCMCG/PLANET/HEAD/PLANET.param -------------------------------------------------------------------------------- /PLANET_datautils.py: -------------------------------------------------------------------------------- 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