I have a PhD in Chemistry and I love contributing to open source computational chemistry projects!
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PhD 👨🔬 Cheminformatics, Molecular Modeling & Machine Learning
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chemosim-lab/ProLIF
chemosim-lab/ProLIF PublicInteraction Fingerprints for protein-ligand complexes and more
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molhighlighter
molhighlighter PublicMulticolored substructure highlights made easy
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MDAnalysis/mdanalysis
MDAnalysis/mdanalysis PublicMDAnalysis is a Python library to analyze molecular dynamics simulations.
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