Software Scientist at Molecular Software Sciences Institute
Member of @MolSSI, Previous member of the @choderalab.
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@MolSSI at Virginia Tech
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MolSSI/covid
MolSSI/covid PublicMolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
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MolSSI/QCFractal
MolSSI/QCFractal PublicA distributed compute and database platform for quantum chemistry.
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MolSSI/cookiecutter-cms
MolSSI/cookiecutter-cms PublicPython-centric Cookiecutter for Molecular Computational Chemistry Packages
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choderalab/yank
choderalab/yank PublicAn open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
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choderalab/openmmtools
choderalab/openmmtools PublicA batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
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openmm/openmm
openmm/openmm PublicOpenMM is a toolkit for molecular simulation using high performance GPU code.
62 contributions in the last year
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