├── 2.7 ├── Data │ ├── dopamineD4props.csv │ └── molecules.smi ├── Main.py ├── Modules │ ├── build_encoding.py │ ├── file_reader.py │ ├── global_parameters.py │ ├── models.py │ ├── mol_utils.py │ ├── rewards.py │ ├── similarity.py │ ├── training.py │ └── tree.py └── Show_Epoch.py ├── 3.6 ├── Data │ ├── dopamineD4props.csv │ └── molecules.smi ├── Main.py ├── Modules │ ├── build_encoding.py │ ├── file_reader.py │ ├── global_parameters.py │ ├── models.py │ ├── mol_utils.py │ ├── rewards.py │ ├── similarity.py │ ├── training.py │ └── tree.py ├── Show_Epoch.py └── conda-environment.yml ├── Data ├── dopamineD4props.csv └── molecules.smi ├── LICENSE └── README.md /2.7/Data/dopamineD4props.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/stan-his/DeepFMPO/HEAD/2.7/Data/dopamineD4props.csv -------------------------------------------------------------------------------- /2.7/Data/molecules.smi: 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