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Refactor code structure for improved readability and maintainability CI-CD #88: Commit 3fa6314 pushed by NDoering99
22m 37s refactoring
refactoring
22m 37s
Merge pull request #204 from talagayev/fix_opc_error CI-CD #87: Commit 2a8e7e0 pushed by NDoering99
18m 58s main
main
18m 58s
adjust naming CI-CD #86: Commit 7760f6e pushed by talagayev
15m 58s add_equilibration
add_equilibration
15m 58s
Merge branch 'main' into add_equilibration CI-CD #85: Commit 3fe1c51 pushed by talagayev
14m 39s add_equilibration
add_equilibration
14m 39s
Update openmmdlsetup.py CI-CD #84: Commit ac72f65 pushed by talagayev
14m 58s add_equilibration
add_equilibration
14m 58s
Update CHANGELOG.md CI-CD #83: Commit 30bbed5 pushed by talagayev
15m 10s high_throughput_sim
high_throughput_sim
15m 10s
Add high throughput simulation option to file configuration CI-CD #82: Commit 1609698 pushed by NDoering99
14m 47s high_throughput_sim
high_throughput_sim
14m 47s
Fix indentation in simulation context setup CI-CD #81: Commit 69ae79e pushed by NDoering99
15m 8s add_equilibration
add_equilibration
15m 8s
Remove unnecessary code and clean up script generation CI-CD #80: Commit 02925cd pushed by NDoering99
6m 43s add_equilibration
add_equilibration
6m 43s
Merge branch 'main' into add_equilibration CI-CD #79: Commit 27965fa pushed by NDoering99
6m 33s add_equilibration
add_equilibration
6m 33s
added minimization and equilibration based on openmmtools run_gentle_… CI-CD #78: Commit a9fe0d1 pushed by NDoering99
20m 13s add_equilibration
add_equilibration
20m 13s
Update openmmdlsetup.py CI-CD #77: Commit 7beaf3c pushed by NDoering99
16m 27s main
main
16m 27s
added minimization and equilibration based on openmmtools run_gentle_… CI-CD #76: Commit a9fe0d1 pushed by NDoering99
24m 15s add_equilibration
add_equilibration
24m 15s
Update CHANGELOG.md CI-CD #75: Commit 4142261 pushed by talagayev
9m 46s patch-1
patch-1
9m 46s
Update CHANGELOG.md CI-CD #74: Commit 7bebcaf pushed by talagayev
9m 25s patch-1
patch-1
9m 25s
Add warnings import to openmmdlsetup.py CI-CD #73: Commit 8be605f pushed by NDoering99
9m 30s patch-1
patch-1
9m 30s