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Pull requests: openforcefield/openff-evaluator

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Pull requests list

Add tautomer filter
#760 opened Apr 1, 2026 by lilyminium Contributor Loading…
8
Bump default Sage version to 2.3.0
#737 opened Feb 19, 2026 by mattwthompson Member • Draft
3 tasks
0.5.3
@mattwthompson
Ensure amino acid can be used as solutes
#707 opened Oct 9, 2025 by mattwthompson Member • Draft
3 tasks
1
[DNM,WIP] Add support for osmotic coefficient
#582 opened Nov 3, 2024 by SimonBoothroyd Contributor • Draft
3 tasks
1
Specified skip_on_failure=True
#558 opened Jul 6, 2024 by jaketanderson Contributor Loading…
2 tasks done
5
Error fix: Specify "standard_names=False" when loading pdb into mdtraj
#552 opened Apr 10, 2024 by jaketanderson Contributor Loading…
1 task done
5
Add back FreeSolv curation
#543 opened Nov 13, 2023 by mattwthompson Member • Draft
2 tasks
1
Update for smirnoff_plugins 2023
#512 opened Apr 30, 2023 by mattwthompson Member • Draft
1 of 4 tasks
1
[PAPRIKA] Host-Guest Free Energy Gradients
#342 opened Jan 16, 2021 by jeff231li Collaborator Loading…
1 task
7
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