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RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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Fixed GFN1-xTB selection issue in qcxms_neutral_run tool #513

Closed zargham-ahmad closed 5 months ago

zargham-ahmad commented 6 months ago

This PR includes the following:

_note _The CI should pass after https://github.com/RECETOX/galaxytools/pull/504 gets merged__

closes #511