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structure-activity-relationships

Here are 2 public repositories matching this topic...

drug-design / course

drugdesign.org source of truth

bioinformatics cheminformatics molecular-dynamics drug-discovery drugs drug-design qsar molecular-modeling molecular-similarity molecular-docking library-design protein-ligand database-searching structure-activity-relationships

Updated Feb 18, 2024

kumaranu / DrugDiscMDConformers

A python package to generate conformers for small molecules using molecular dynamics.

cheminformatics drug-discovery conformational-analysis molecular-modeling structure-activity-relationships

Updated Sep 1, 2024
Python

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