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University of Kentucky
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mol2vec
mol2vec PublicForked from samoturk/mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
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qsar-tools
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Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
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MDanalysis_Workshop
MDanalysis_Workshop PublicForked from LucyJimenez/MDanalysis_Workshop
Workshop - Analysis of Molecular Dynamics Simulation Using Python
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moltemplate
moltemplate PublicForked from jewettaij/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
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