├── .gitignore ├── LICENSE ├── README.md └── python ├── augment-SMILES.py ├── calculate_outcomes.py ├── clean-SMILES.py ├── convert-DeepSMILES.py ├── convert-SELFIES.py ├── datasets.py ├── functions.py ├── models.py ├── sample-molecules.py ├── train_model.py └── util └── SmilesEnumerator.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/README.md -------------------------------------------------------------------------------- /python/augment-SMILES.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/augment-SMILES.py -------------------------------------------------------------------------------- /python/calculate_outcomes.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/calculate_outcomes.py -------------------------------------------------------------------------------- /python/clean-SMILES.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/clean-SMILES.py -------------------------------------------------------------------------------- /python/convert-DeepSMILES.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/convert-DeepSMILES.py -------------------------------------------------------------------------------- /python/convert-SELFIES.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/convert-SELFIES.py -------------------------------------------------------------------------------- /python/datasets.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/datasets.py -------------------------------------------------------------------------------- /python/functions.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/functions.py -------------------------------------------------------------------------------- /python/models.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/models.py -------------------------------------------------------------------------------- /python/sample-molecules.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/sample-molecules.py -------------------------------------------------------------------------------- /python/train_model.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/train_model.py -------------------------------------------------------------------------------- /python/util/SmilesEnumerator.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/skinnider/low-data-generative-models/HEAD/python/util/SmilesEnumerator.py --------------------------------------------------------------------------------