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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. TransforMol TransforMol Public

    A Generative Transformer Model + LLM Agent as an Expert for Molecules

    Jupyter Notebook 2

  2. mlff mlff Public

    Information of Foundation Machine Learning Force Field for Chemistry and Drug Discovery

    Jupyter Notebook

  3. deepcv deepcv Public

    Generative Deep Learning for Collective Variables (DeepCV)

    Python 4

  4. symreg-cv symreg-cv Public

    Symbolic Regression Generative Model for Collective Variables-based Enhanced Sampling

    Jupyter Notebook

  5. qm-perf qm-perf Public

    Performance Test of Quantum Chemistry Software on HPC

  6. cp2k cp2k Public

    Forked from cp2k/cp2k

    Quantum chemistry and solid state physics software package

    Fortran