globus-labs / mof-generation-at-scale / 8588792793

46%

Build Type

push

github

Committed by web-flow

Commit Message

major change to ligand generation and postprocess to boost MOF stability (#103)

* Update template_carboxyl_benzene_prompt.yml

* Update model.py

* Update template_pyridine_pyridine_prompt.yml

* Update model.py

* Update template_carboxyl_benzene_prompt.yml

* Update template_carboxyl_benzene_prompt.yml

* Update model.py

* Update validate.py

* Update run_serial_workflow.py

* Update xyz.py

* Update model.py

* Update model.py

* Update run_parallel_workflow.py

* Update run_parallel_workflow.py

* Update test_generator.py

* Update model.py

* Update model.py

* Update model.py

* Update model.py

* Update model.py

* Update test_validate.py

* Update xyz.py

* Update test_validate.py

* Update test_xyz.py

* Update xyz.py

Run Details

32 of 36 new or added lines in 3 files covered. (88.89%)

21 existing lines in 2 files now uncovered.

4164 of 10007 relevant lines covered (41.61%)

0.42 hits per line