Isayev Lab @ Carnegie Mellon

Isayev Lab @ Carnegie Mellon's repositories

Auto3D generates low-energy conformers from SMILES/SDF

Language:PythonMIT130 11 35

Language:PythonMIT57 7 15

Accurate prediction of protein pKa with representation learning

Language:PythonNOASSERTION39 8 6

AIMNet-NSE model

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Language:Jupyter NotebookApache-2.015 50

Language:Python6 4 2

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MIT100

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Auto3D generates low-energy conformers from SMILES/SDF

Language:PythonMIT000

Language:Python000

Language:Jupyter Notebook000