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Achievement: Pull Sharkx3Achievement: QuickdrawAchievement: YOLO

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  1. LopezGroup-ICIQ/ATLAS LopezGroup-ICIQ/ATLAS Public

    An automatic workflow for streamlining training and data generation for MLIPs via active learning

    Python 6

  2. LopezGroup-ICIQ/care LopezGroup-ICIQ/care Public

    Automated creation and manipulation of chemical reaction networks (CRNs) in heterogeneous catalysis, powered by state-of-the-art ML evaluators and Julia-solvers for microkinetic modelling.

    Python 84 14

  3. simul-protein-small-molecule simul-protein-small-molecule Public

    Tools to study LLPS in IDP systems using the OpenMM python API

    Python 7