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Top 3 smiles-strings open source projects

chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring.
✭ 176
pythonshellmachine-learningdeep-learningchemistrygeometrybiologytorchpytorchdrug-discoverydrugsmilespharmageometric-deep-learninggraph-neural-networkdrug-interactionpolypharmacysmiles-stringsdeep-chemistrydrug-pairtorchdrug
Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
✭ 143
pythonJupyter Notebookneural-networkdrug-discoverymoleculesautoencoderslstm-neural-networksdenovo-designsmiles-strings
pysmiles
A lightweight python-only library for reading and writing SMILES strings
✭ 95
pythoncheminformaticssmileshacktoberfestsmiles-stringswriting-smiles
1-3 of 3 smiles-strings projects