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

Port whole workflow to sunspot #75

Closed WardLT closed 8 months ago

WardLT commented 8 months ago

Include the environment setup, logging changes and a run script

coveralls commented 8 months ago

Pull Request Test Coverage Report for Build 8494870949

Details


Changes Missing Coverage Covered Lines Changed/Added Lines %
mofa/hpc/utilization.py 2 8 25.0%
mofa/hpc/config.py 14 21 66.67%
<!-- Total: 16 29 55.17% -->
Files with Coverage Reduction New Missed Lines %
mofa/utils/src/edm.py 26 58.46%
<!-- Total: 26 -->
Totals Coverage Status
Change from base Build 8493234402: -0.2%
Covered Lines: 4129
Relevant Lines: 9932

💛 - Coveralls