globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
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Update template based on first meeting #2

Closed WardLT closed 1 year ago

WardLT commented 1 year ago

A few changes related to the computational environment and the stubs for routines.

coveralls commented 2 weeks ago

Pull Request Test Coverage Report for Build 5751270158

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

Details


Changes Missing Coverage Covered Lines Changed/Added Lines %
mofa/generator.py 0 1 0.0%
<!-- Total: 0 1 0.0% -->
Files with Coverage Reduction New Missed Lines %
mofa/generator.py 1 0.0%
<!-- Total: 1 -->
Totals Coverage Status
Change from base Build 5669391716: 0.0%
Covered Lines: 9
Relevant Lines: 21

💛 - Coveralls
coveralls commented 2 weeks ago

Pull Request Test Coverage Report for Build 5751342364

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

Details


Changes Missing Coverage Covered Lines Changed/Added Lines %
mofa/scoring/base.py 5 7 71.43%
mofa/generator.py 0 3 0.0%
<!-- Total: 11 16 68.75% -->
Totals Coverage Status
Change from base Build 5669391716: 5.6%
Covered Lines: 16
Relevant Lines: 33

💛 - Coveralls