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Vanderbilt University
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ncaa_tutorial
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ParmEd
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bcl
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The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…
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RFDesign
RFDesign PublicForked from RosettaCommons/RFDesign
Protein hallucination and inpainting with RoseTTAFold
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MolGpKa
MolGpKa PublicForked from Xundrug/MolGpKa
The graph-convolutional neural network for pka prediction
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