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  1. FIRECODE FIRECODE Public

    FIRECODE: a computational chemistry workflow driver and modular hub

    Python 11

  2. prism_pruner prism_pruner Public

    Similarity pruning engine for conformational ensembles

    Python 18 4

  3. python-kinetic-simulator python-kinetic-simulator Public

    Simple Chemistry Kinetic Simulator written in Python

    Python 1