├── .gitignore ├── .travis.yml ├── LICENSE ├── MANIFEST.in ├── README.md ├── fcd_torch ├── ChemNet_v0.13_pretrained.pt ├── __init__.py ├── fcd.py ├── keras2pytorch.py ├── torch_layers.py └── utils.py ├── setup.py └── test.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/.gitignore -------------------------------------------------------------------------------- /.travis.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/.travis.yml -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/LICENSE -------------------------------------------------------------------------------- /MANIFEST.in: -------------------------------------------------------------------------------- 1 | # MANIFEST.in 2 | include fcd_torch/ChemNet_v0.13_pretrained.pt 3 | 4 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/README.md -------------------------------------------------------------------------------- /fcd_torch/ChemNet_v0.13_pretrained.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/fcd_torch/ChemNet_v0.13_pretrained.pt -------------------------------------------------------------------------------- /fcd_torch/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/fcd_torch/__init__.py -------------------------------------------------------------------------------- /fcd_torch/fcd.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/fcd_torch/fcd.py -------------------------------------------------------------------------------- /fcd_torch/keras2pytorch.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/fcd_torch/keras2pytorch.py -------------------------------------------------------------------------------- /fcd_torch/torch_layers.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/fcd_torch/torch_layers.py -------------------------------------------------------------------------------- /fcd_torch/utils.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/fcd_torch/utils.py -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/setup.py -------------------------------------------------------------------------------- /test.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/insilicomedicine/fcd_torch/HEAD/test.py --------------------------------------------------------------------------------