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https://github.com/adam-maz/cnndock

CNN based moleculra docking classification of small molecules in Maestro Schrodinger
https://github.com/adam-maz/cnndock

ann cloud-computing cnn-classification deep-learning fingerprint ipython-notebook medicinal-chemistry molecular-docking python rdkit

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CNN based moleculra docking classification of small molecules in Maestro Schrodinger

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