├── README.md ├── mflow ├── affection.ipynb ├── classter-Copy1.ipynb ├── classter.ipynb ├── generate.py ├── models │ ├── basic.py │ ├── coupling.py │ ├── encdoc.py │ ├── glow.py │ ├── graphvae_flow.py │ ├── hyperparams.py │ ├── init.py │ ├── layers.py │ ├── model.py │ └── utils.py ├── optimize_property.py ├── train_model.py ├── utils │ ├── environment.py │ ├── init.md │ ├── model_utils.py │ ├── molecular_metrics.py │ ├── sascorer.py │ └── timereport.py └── visualresult.ipynb └── timeresult.csv /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/chshm/GF-VAE/HEAD/README.md -------------------------------------------------------------------------------- /mflow/affection.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/chshm/GF-VAE/HEAD/mflow/affection.ipynb -------------------------------------------------------------------------------- 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