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Pull requests: openforcefield/openff-bespokefit

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Pull requests list

Always use Pydantic v1 API, test using v1 and v2
#358 opened Sep 9, 2024 by mattwthompson • Draft
4
[DNM] Test on pydantic 2
#357 opened Sep 5, 2024 by j-wags Loading…
4
Add Docker support to easily launch the server
#341 opened Apr 11, 2024 by jthorton Loading…
4 tasks
3
[DNM] Try adding fast psi4 integration test
#236 opened Mar 6, 2023 by j-wags Loading…
1
Generalize QC task models to allow pre-optimization
#177 opened May 23, 2022 by SimonBoothroyd Loading…
1 task done
1
Add single point jobs to the end of torsiondrives
#167 opened Apr 27, 2022 by jthorton Loading…
1 of 4 tasks
11
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