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Participants

  • Richard Gowers

Goals

  • DN : backlog population, system of record for coordinating effort on work units (issues, PRs)

  • RG : needs for gufe::ProteinComponent protein representation, identify gaps in using OpenFF Toolkit Molecule

    • Current status of reading in PDB files

    • Storage of “protein” contents within Molecule

  • DD : protein-ligand-benchmark advancement, LiveCOMS revision

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