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@UCL-RITS @UCL @conda-forge @inform-health-informatics @duartegroup @UCL-ARC @SAFEHR-data @UCLH-DHCT

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  1. duartegroup/autodE duartegroup/autodE Public

    automated reaction profile generation

    Python 173 52

  2. opt-rs opt-rs Public

    molecular mechanics optimisation

    Rust 16 1