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General updates

  • JW –

    • QCSubmit 0.53.0 out. Fixes a bug in how datasets are filtered. I’m not sure if you hold on to previously fetched+filtered datasets, but you might need to update those if they’re supposed to represent the current state of retrieval.

    • Made some progress on converting ForceBalance to use modern GROMACS + pseudo-vacuum.

    • BW is working on some sort of qca-dataset-submission-like GH runner for YAMMBS. Seems to be making very rapid progress. We’ve asked him to introduce it at today’s internal benchmarking meeting.

  • MT –

    • Evaluator release

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