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added minimization and equilibration based on openmmtools run_gentle_equilibration CodeQL #563: Pull request #194 synchronize by talagayev
1m 7s NDoering99:add_equilibration
NDoering99:add_equilibration
1m 7s
Merge pull request #199 from talagayev/remove_initial_pdb CI-CD #377: Commit 170d59c pushed by talagayev
14m 34s main
main
14m 34s
Merge pull request #199 from talagayev/remove_initial_pdb CodeQL #562: Commit 170d59c pushed by talagayev
1m 3s main
main
1m 3s
Removal of initial PDB file from OpenMMDL Setup file saving CodeQL #561: Pull request #199 synchronize by talagayev
1m 15s talagayev:remove_initial_pdb
talagayev:remove_initial_pdb
1m 15s
Removal of initial PDB file from OpenMMDL Setup file saving CodeQL #560: Pull request #199 opened by talagayev
1m 9s talagayev:remove_initial_pdb
talagayev:remove_initial_pdb
1m 9s
Merge pull request #198 from talagayev/multiple_ligand_support CodeQL #559: Commit b6395b1 pushed by talagayev
1m 6s main
main
1m 6s
Merge pull request #198 from talagayev/multiple_ligand_support CI-CD #376: Commit b6395b1 pushed by talagayev
14m 33s main
main
14m 33s
Addition of multiple ligand support CodeQL #558: Pull request #198 synchronize by talagayev
1m 8s talagayev:multiple_ligand_support
talagayev:multiple_ligand_support
1m 8s
Addition of multiple ligand support CodeQL #557: Pull request #198 opened by talagayev
1m 8s talagayev:multiple_ligand_support
talagayev:multiple_ligand_support
1m 8s
Merge pull request #197 from talagayev/add_failure_retries CodeQL #556: Commit 6a98454 pushed by talagayev
1m 9s main
main
1m 9s
Merge pull request #197 from talagayev/add_failure_retries CI-CD #375: Commit 6a98454 pushed by talagayev
15m 7s main
main
15m 7s
Addition of flag during NaN error CodeQL #555: Pull request #197 opened by talagayev
1m 6s talagayev:add_failure_retries
talagayev:add_failure_retries
1m 6s
CodeQL CodeQL #554: Scheduled
1m 2s main
main
1m 2s
added minimization and equilibration based on openmmtools run_gentle_equilibration CodeQL #553: Pull request #194 synchronize by talagayev
1m 8s NDoering99:add_equilibration
NDoering99:add_equilibration
1m 8s
Merge pull request #196 from NDoering99/high_throughput_sim CI-CD #374: Commit 049be21 pushed by talagayev
14m 57s main
main
14m 57s
Merge pull request #196 from NDoering99/high_throughput_sim CodeQL #552: Commit 049be21 pushed by talagayev
1m 3s main
main
1m 3s
Add high throughput simulation option to file configuration CodeQL #551: Pull request #196 synchronize by talagayev
1m 12s NDoering99:high_throughput_sim
NDoering99:high_throughput_sim
1m 12s
Merge pull request #195 from talagayev/analysis_logger_implementation CI-CD #373: Commit 246e970 pushed by talagayev
14m 53s main
main
14m 53s
Merge pull request #195 from talagayev/analysis_logger_implementation CodeQL #550: Commit 246e970 pushed by talagayev
1m 12s main
main
1m 12s
Transfer to logger in OpenMMDL Analysis CodeQL #549: Pull request #195 synchronize by talagayev
1m 15s talagayev:analysis_logger_implementation
talagayev:analysis_logger_implementation
1m 15s
Transfer to logger in OpenMMDL Analysis CodeQL #548: Pull request #195 synchronize by talagayev
1m 23s talagayev:analysis_logger_implementation
talagayev:analysis_logger_implementation
1m 23s
Transfer to logger in OpenMMDL Analysis CodeQL #547: Pull request #195 synchronize by talagayev
1m 9s talagayev:analysis_logger_implementation
talagayev:analysis_logger_implementation
1m 9s
Add high throughput simulation option to file configuration CodeQL #546: Pull request #196 opened by NDoering99
1m 12s NDoering99:high_throughput_sim
NDoering99:high_throughput_sim
1m 12s
Transfer to logger in OpenMMDL Analysis CodeQL #545: Pull request #195 synchronize by talagayev
1m 10s talagayev:analysis_logger_implementation
talagayev:analysis_logger_implementation
1m 10s
Transfer to logger in OpenMMDL Analysis CodeQL #544: Pull request #195 synchronize by talagayev
1m 13s talagayev:analysis_logger_implementation
talagayev:analysis_logger_implementation
1m 13s