globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
18 stars 5 forks source link

Add glue code which makes records from ligands and nodes #36

Closed WardLT closed 11 months ago

WardLT commented 11 months ago

Assembles from and produces records in our interchange format

coveralls commented 11 months ago

Pull Request Test Coverage Report for Build 7398030795


Totals Coverage Status
Change from base Build 7225420113: 0.1%
Covered Lines: 3831
Relevant Lines: 9583

💛 - Coveralls