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

Initial draft of a data model #16

Closed WardLT closed 1 year ago

WardLT commented 1 year ago

Add a data model to the code base.

To do:

coveralls commented 1 year ago

Pull Request Test Coverage Report for Build 5879517814


Files with Coverage Reduction New Missed Lines %
mofa/scoring/base.py 4 73.33%
mofa/generator.py 5 0%
<!-- Total: 9 -->
Totals Coverage Status
Change from base Build 5751397811: 28.4%
Covered Lines: 70
Relevant Lines: 91

💛 - Coveralls