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CPLab

AI clears the path for computational chemistry

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  1. .github .github Public

    Developed and maintained by Dr. Zhao and collaborators.

  2. Chen-Manz Chen-Manz Public

    A bond-order-based method for MOFs validation.

    Python

  3. DREAMS DREAMS Public

    An LLM agent for end-to-end computational materials discovery

  4. GTsR GTsR Public

    Forked from Xiao-Yan-Li-group/GTsR

    A GNN Based Tool for Solvent Removal from MOF with stability check

    Python

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