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:octocat:
Learning something..
:octocat:
Learning something..

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@cp2k @OctaDist @python-thailand @Vitamin-Thailand @moleview @tmlcc @graph4chem

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  1. mlff mlff Public

    Information of Foundation Machine Learning Force Field for Realistic Chemistry and Biology

    Jupyter Notebook

  2. deepcv deepcv Public

    Generative Deep Learning for Collective Variables (DeepCV) mirrored from https://gitlab.uzh.ch/lubergroup/deepcv

    Python 4

  3. symreg-cv symreg-cv Public

    Symbolic Regression Generative Model for Collective Variables-based Enhanced Sampling

    Jupyter Notebook

  4. qm-perf qm-perf Public

    Performance Test of Quantum Chemistry Software on HPC

  5. cp2k cp2k Public

    Forked from cp2k/cp2k

    Quantum chemistry and solid state physics software package

    Fortran

  6. AWS-HPC AWS-HPC Public

    Info about AWS ParallelCluster for high-performance molecular dynamics simulations

    Shell