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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@metatensor

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RMeli/README.md

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  1. spyrmsdspyrmsdPublic

    📐 Symmetry-corrected RMSD in Python

    Python 118 12

  2. eth-cscs/DLA-Futureeth-cscs/DLA-FuturePublic

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  3. gnina-torchgnina-torchPublic

    🔥 PyTorch implementation of GNINA scoring function for molecular docking

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  4. MDAnalysis/mdanalysisMDAnalysis/mdanalysisPublic

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.6k 852

  5. gnina/gninagnina/gninaPublic

    A deep learning framework for molecular docking

    C++ 960 208

  6. cp2k/cp2kcp2k/cp2kPublic

    Quantum chemistry and solid state physics software package

    Fortran 1.2k 491