globus-labs / mof-generation-at-scale

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LAST BUILD ON BRANCH clean-lammps-tests

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• clean-lammps-tests
• 15Apr24-gb
• COO-ligand-fix
• WardLT-patch-1
• add-ci
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• add-mongodb
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• add_cif2lammps
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• anchor-C-ids
• aurora-2Apr
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• coo-swap-with-large-prompt
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• cp2k-optimize
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• dedicate-training
• dft-in-workflow
• difflinker-ligand-parts-terminologies
• difflinker-polaris
• evaluate-md-runtimes
• fix-ci-lammps
• fix-prompt
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• frontier-cp2k-rebuild-20250520
• full-serial-run
• generativeAI
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• helpers
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• hyunp2-patch-1
• ignore-cp2k-failure
• infer-hydrogens
• initial_workflow
• install-aurora
• integrate-pwdft
• integrate-raspa
• keceli_mace
• keceli_pwdft
• label-connecting-atoms
• lammps-ml-iap
• lammps-mps
• lammps-polaris
• lammps-ramdisk
• lammps_result_analysis
• larger-prompts
• ligand-rubberbanding
• ligand-template
• mace-cleanup
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• main
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• more-backlog
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• new-aurora-config
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• new-prompts-usage
• new_fragmentation
• octopus
• offload-post-process.py
• one-mpiexec-one-parallel
• pip-pytorch
• polaris-mar25
• polaris-multi-train
• prerelax-mace
• priority-queue
• pwdft-component
• raspa-gcmc
• remove-serial
• restart-md
• sc25
• sc25-artifacts
• simple-workflow
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• sunspot
• sunspot-tests
• sunspot-workflow
• swap-cyano-for-COO
• test-colmena
• test-difflinker-stream
• train-changes
• train-on-raspa
• training-test
• update-baseline
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• use-graspa-sycl
• vary-size
• volume-change
• williamyxl-local-test
• williamyxl-patch-1

Build # 6790084902

Build Type

Pull #25

github

Committed by WardLT

Commit Message

Test two of the MOFs

Pull Request Pull Request #25: Prepare for running LAMMPS in workflow

Run Details

60 of 120 new or added lines in 9 files covered. (50.0%)

60 existing lines in 8 files now uncovered.

1559 of 4740 relevant lines covered (32.89%)

0.33 hits per line