├── LICENSE ├── README.md ├── docs ├── hyfactor_scheme.png └── refactor_scheme.png ├── enviroment.yml ├── examples ├── .gitkeep ├── configs │ ├── README.md │ ├── hyfactor_chembl_decoding.yaml │ ├── hyfactor_chembl_encoding.yaml │ ├── hyfactor_chembl_training.yaml │ ├── hyfactor_zinc_training.yaml │ └── refactor_chembl_training.yaml └── notebooks │ └── .gitkeep ├── hyfactor ├── __init__.py ├── layers.py ├── main.py ├── metrics.py ├── mol_utils.py ├── nn_utils.py └── preprocessing.py ├── requirements.txt └── setup.py /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/README.md -------------------------------------------------------------------------------- /docs/hyfactor_scheme.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/docs/hyfactor_scheme.png -------------------------------------------------------------------------------- /docs/refactor_scheme.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/docs/refactor_scheme.png -------------------------------------------------------------------------------- /enviroment.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/enviroment.yml -------------------------------------------------------------------------------- /examples/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /examples/configs/README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/examples/configs/README.md -------------------------------------------------------------------------------- /examples/configs/hyfactor_chembl_decoding.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/examples/configs/hyfactor_chembl_decoding.yaml -------------------------------------------------------------------------------- /examples/configs/hyfactor_chembl_encoding.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/examples/configs/hyfactor_chembl_encoding.yaml -------------------------------------------------------------------------------- /examples/configs/hyfactor_chembl_training.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/examples/configs/hyfactor_chembl_training.yaml -------------------------------------------------------------------------------- /examples/configs/hyfactor_zinc_training.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/examples/configs/hyfactor_zinc_training.yaml -------------------------------------------------------------------------------- /examples/configs/refactor_chembl_training.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/examples/configs/refactor_chembl_training.yaml -------------------------------------------------------------------------------- /examples/notebooks/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /hyfactor/__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /hyfactor/layers.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/hyfactor/layers.py -------------------------------------------------------------------------------- /hyfactor/main.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/hyfactor/main.py -------------------------------------------------------------------------------- /hyfactor/metrics.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/hyfactor/metrics.py -------------------------------------------------------------------------------- /hyfactor/mol_utils.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/hyfactor/mol_utils.py -------------------------------------------------------------------------------- /hyfactor/nn_utils.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/hyfactor/nn_utils.py -------------------------------------------------------------------------------- /hyfactor/preprocessing.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/hyfactor/preprocessing.py -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/requirements.txt -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Laboratoire-de-Chemoinformatique/hyfactor/HEAD/setup.py --------------------------------------------------------------------------------