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  1. basf/mlipx basf/mlipx Public

    Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside …

    Python 103 8

  2. basf/autoadsorbate basf/autoadsorbate Public

    Chemical intuition for surface science in a package.

    Python 60 11

  3. schwallergroup/llm_adsorbate schwallergroup/llm_adsorbate Public

    Python 9 1