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1. fast_exact_topk_tpu fast_exact_topk_tpu Public

   Very fast implementation of exact top-k for TPU using Pallas

   Jupyter Notebook 3

2. 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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3. openpathsampling openpathsampling Public

   Forked from openpathsampling/openpathsampling

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4. CSpred CSpred Public

   Forked from THGLab/CSpred

   UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted f…

   Jupyter Notebook

5. jax-md jax-md Public

   Forked from jax-md/jax-md

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6. jaxlie jaxlie Public

   Forked from brentyi/jaxlie

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