Add plotting script and add plots to output

openforcefield / yammbs-dataset-submission

Input files and scripts for benchmarking OpenFF force fields with yammbs

MIT License

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Add plotting script and add plots to output #11

Closed ntBre closed 2 days ago

ntBre commented 2 days ago

This PR adds back a modified version of the plotting script from my benchmarking repo, calls it as part of a benchmarking run, and commits the resulting plots to the repo, as well as uploads them to Zenodo.