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Pull requests: OpenFreeEnergy/openfe

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Pull requests list

Make MD output settings optional
#1058 opened Dec 17, 2024 by hannahbaumann Loading…
1 of 2 tasks
[WIP] SepTop Protocol
#1057 opened Dec 17, 2024 by hannahbaumann Loading…
1 of 2 tasks
[WIP] cli json inspection
#1055 opened Dec 13, 2024 by atravitz Draft
2 tasks
CLI adaptive settings for charge change transformations
#1053 opened Dec 13, 2024 by jthorton Loading…
1 of 2 tasks
Simplify settings help message
#1052 opened Dec 12, 2024 by atravitz Loading…
Test cofactor networks generated with the CLI
#1048 opened Dec 12, 2024 by jthorton Loading…
1 of 2 tasks
[WIP] ABFE protocol
#1045 opened Dec 11, 2024 by IAlibay Loading…
1 of 2 tasks
Add gather support for parallel dir structure
#1044 opened Dec 9, 2024 by atravitz Loading…
2 tasks
[WIP] Restraints API
#1043 opened Dec 9, 2024 by IAlibay Loading…
1 of 2 tasks
Support HIP
#951 opened Oct 8, 2024 by mikemhenry Draft
2 tasks
Konnektor integration enhancement New feature or request networkplanning priority:medium
#927 opened Sep 3, 2024 by RiesBen Loading…
7 of 9 tasks
Refine core usage in CI
#924 opened Aug 25, 2024 by IAlibay Loading…
2 tasks
Try speeding up CI priority:low
#892 opened Jul 21, 2024 by IAlibay Loading…
2 tasks
Cli protocol settings via yaml input cli command-line interface
#770 opened Mar 8, 2024 by richardjgowers Loading…
2 tasks
v1.3.0
Add linting
#723 opened Feb 13, 2024 by mikemhenry Draft
1 task done
Un-vendor toolkit_registry_manager
#722 opened Feb 13, 2024 by mattwthompson Draft
1 task done
[wip] Storage manager update
#679 opened Jan 4, 2024 by richardjgowers Loading…
1 task
Automated API reference
#570 opened Oct 4, 2023 by Yoshanuikabundi Loading…
1 task done
[WIP] quickrun result error inspection command cli command-line interface
#492 opened Jul 18, 2023 by dwhswenson Loading… v1.3.0
[WIP: don't review] New storage in network planner CLI cli command-line interface
#470 opened Jun 22, 2023 by dwhswenson Loading…
ProTip! What’s not been updated in a month: updated:<2024-11-17.