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Achievements

Achievement: Pair Extraordinairex4Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex4Achievement: Galaxy BrainAchievement: QuickdrawAchievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Organizations

@cp2k @eth-cscs @MDAnalysis @conda-forge @gnina @bigginlab @mmdg-oxford @spack

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RMeli/README.md

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  1. spyrmsd spyrmsd Public

    📐 Symmetry-corrected RMSD in Python

    Python 90 7

  2. eth-cscs/DLA-Future eth-cscs/DLA-Future Public

    DLA-Future

    C++ 69 15

  3. gnina-torch gnina-torch Public

    🔥 PyTorch implementation of GNINA scoring function for molecular docking

    Python 59 6

  4. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.3k 661

  5. gnina/gnina gnina/gnina Public

    A deep learning framework for molecular docking

    C++ 647 149