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Pull requests: openforcefield/openff-evaluator

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Pull requests list

Update to work with Pandas 2
#662 opened May 22, 2025 by mattwthompson Loading… 0.5.1
1
1
Update some deprecated calls
#657 opened Apr 23, 2025 by mattwthompson Loading… 0.5.1
1
1
Use Pydantic v2 at runtime
#584 opened Nov 4, 2024 by mattwthompson • Draft
3 tasks
[DNM,WIP] Add support for osmotic coefficient
#582 opened Nov 3, 2024 by SimonBoothroyd • Draft
3 tasks
1
Specified skip_on_failure=True
#558 opened Jul 6, 2024 by jaketanderson Loading…
2 tasks done
5
Error fix: Specify "standard_names=False" when loading pdb into mdtraj
#552 opened Apr 10, 2024 by jaketanderson Loading…
1 task done
5
Add back FreeSolv curation
#543 opened Nov 13, 2023 by mattwthompson • Draft
2 tasks
1
Update for smirnoff_plugins 2023
#512 opened Apr 30, 2023 by mattwthompson • Draft
1 of 4 tasks
1
[PAPRIKA] Host-Guest Free Energy Gradients
#342 opened Jan 16, 2021 by jeff231li Loading…
1 task
7
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