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mdanalysis
mdanalysis PublicForked from MDAnalysis/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Python
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machine_learning_for_qsar
machine_learning_for_qsar PublicForked from PatWalters/qsar
Simple ML model for performing QSAR
Python
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chemoinformatics_resources
chemoinformatics_resources PublicForked from PatWalters/resources
A Highly Opinionated List of Open Source Cheminformatics Resources
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