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101 followers · 101 following

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Achievement: QuickdrawAchievement: Pair Extraordinairex3Achievement: YOLOAchievement: Starstruckx2Achievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Achievements

Achievement: QuickdrawAchievement: Pair Extraordinairex3Achievement: YOLOAchievement: Starstruckx2Achievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Organizations

@FoldingAtHome @choderalab @MDAnalysis @conda-forge @datreant @openforcefield @alchemistry @OpenFreeEnergy @asapdiscovery @datryllic

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  1. OpenFreeEnergy/alchemiscale OpenFreeEnergy/alchemiscale Public

    a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home

    Python 24 8

  2. OpenFreeEnergy/gufe OpenFreeEnergy/gufe Public

    grand unified free energy by OpenFE

    Python 34 9

  3. alchemistry/alchemlyb alchemistry/alchemlyb Public

    the simple alchemistry library

    Python 201 51

  4. datreant/datreant datreant/datreant Public

    persistent, pythonic trees for heterogeneous data

    Python 32 7

  5. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.3k 657

  6. MolSSI/QCFractal MolSSI/QCFractal Public

    A distributed compute and database platform for quantum chemistry.

    Python 149 48