globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
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Add output files to run #39

Closed WardLT closed 11 months ago

WardLT commented 11 months ago

Also fix a bug with storing the valid ligands.

coveralls commented 11 months ago

Pull Request Test Coverage Report for Build 7401095218

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Totals Coverage Status
Change from base Build 7399418317: 0.3%
Covered Lines: 3873
Relevant Lines: 9600

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