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Notes

Test set refresh

  • Coverage tool

    • Tests for tool?

      • JW – It’s large enough that we probably can’t test it with high coverage, though that may not be necessary

    • How to proceed with making test set?

      • JW – Some representatives from minidrugbank, ChEBI, other sources?

Toolkit impl backends

  • JW – I think this is a good idea. Let’s complete the test set refresh first, though.

Isotope support

  • JW – Potentially needed for submitted grant, won’t know for a while.

PR #963

  • JW – Probably good to merge – Objections?

    • Github link macro
      linkhttps://github.com/openforcefield/openff-toolkit/pull/963

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