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1. gromacs gromacs Public

   Forked from gromacs/gromacs

   Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

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2. openpathsampling openpathsampling Public

   Forked from openpathsampling/openpathsampling

   An open source Python framework for transition interface and path sampling calculations.

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3. CSpred CSpred Public

   Forked from THGLab/CSpred

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4. jax-md jax-md Public

   Forked from jax-md/jax-md

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5. jaxlie jaxlie Public

   Forked from brentyi/jaxlie

   Rigid transforms via Lie groups, in JAX!

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6. bgflow bgflow Public

   Forked from noegroup/bgflow

   Boltzmann Generators and Normalizing Flows in PyTorch

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