globus-labs
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mof-generation-at-scale
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main: 46%
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lammps-mps
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lammps-mps
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add-ci
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main
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williamyxl-patch-1
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add_cif2lammps
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generativeAI
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add_data_model
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initial_workflow
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add_hmof
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clean-lammps-tests
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volume-change
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mof_assembly_code
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lammps_result_analysis
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simple-workflow
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add-run-dir
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ligand-template
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infer-hydrogens
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ligand-rubberbanding
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label-connecting-atoms
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anchor-C-ids
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hyunp2-patch-1
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swap-cyano-for-COO
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full-serial-run
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lammps-polaris
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new_fragmentation
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colmena_first
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difflinker-polaris
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colmena-polaris
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streaming-mofs
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update-lammps
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more-backlog
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add-mongodb
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priority-queue
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sunspot
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WardLT-patch-1
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difflinker-ligand-parts-terminologies
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vary-size
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ddec-cp2k
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cp2k-ddec
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larger-prompts
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sunspot-workflow
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coo-swap-with-large-prompt
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new-difflinker-model
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close-loop
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training-test
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new-prompts-usage
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williamyxl-local-test
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fix-prompt
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helpers
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dft-in-workflow
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COO-ligand-fix
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raspa-gcmc
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lammps-ramdisk
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cp2k-optimize
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train-changes
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integrate-raspa
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dedicate-training
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cgcnn_pred
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ignore-cp2k-failure
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train-on-raspa
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high-capacity-mof-repo
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15Apr24-gb
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sunspot-tests
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more-tests
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mini-app-dev
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octopus
CHANGE BRANCH
x
-
lammps-mps
- add-ci
- main
- williamyxl-patch-1
- add_cif2lammps
- generativeAI
- add_data_model
- initial_workflow
- add_hmof
- clean-lammps-tests
- volume-change
- mof_assembly_code
- lammps_result_analysis
- simple-workflow
- add-run-dir
- ligand-template
- infer-hydrogens
- ligand-rubberbanding
- label-connecting-atoms
- anchor-C-ids
- hyunp2-patch-1
- swap-cyano-for-COO
- full-serial-run
- lammps-polaris
- new_fragmentation
- colmena_first
- difflinker-polaris
- colmena-polaris
- streaming-mofs
- update-lammps
- more-backlog
- add-mongodb
- priority-queue
- sunspot
- WardLT-patch-1
- difflinker-ligand-parts-terminologies
- vary-size
- ddec-cp2k
- cp2k-ddec
- larger-prompts
- sunspot-workflow
- coo-swap-with-large-prompt
- new-difflinker-model
- close-loop
- training-test
- new-prompts-usage
- williamyxl-local-test
- fix-prompt
- helpers
- dft-in-workflow
- COO-ligand-fix
- raspa-gcmc
- lammps-ramdisk
- cp2k-optimize
- train-changes
- integrate-raspa
- dedicate-training
- cgcnn_pred
- ignore-cp2k-failure
- train-on-raspa
- high-capacity-mof-repo
- 15Apr24-gb
- sunspot-tests
- more-tests
- mini-app-dev
- octopus
coverage: 41.382% (+0.03%) from 41.352%
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Source Files on lammps-mps
Recent builds
| Builds | Branch | Commit | Type | Ran | Committer | Via | Coverage |
|---|---|---|---|---|---|---|---|
| 8615345268 | lammps-mps | Merge branch 'lammps-mps' of github.com:globus-labs/mof-generation-at-scale into lammps-mps | Pull #112 |  WardLT |
github |
41.38 |
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| 8615237227 | lammps-mps | Merge branch 'main' into lammps-mps | push |  web-flow |
github |
41.64 |
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| 8615237374 | lammps-mps | Merge 6797fb098 into f481fde4e | Pull #112 | web-flow |
github |
41.64 |
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| 8615224955 | lammps-mps | Correct number of workers in config Also deal with some bizzare environment issues: 1. `activate` cannot be found on some nodes 2. loading kokkos changes env in a needed way (loading cudatoolkit?) | push | WardLT |
github |
41.38 |
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| 8614734331 | lammps-mps | We must run on >4 nodes for tests now | Pull #112 | WardLT |
github |
41.64 |
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| 8614337931 | lammps-mps | Allow >1 LAMMPS per GPU | Pull #112 | WardLT |
github |
41.64 |
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