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Pull requests: openforcefield/openff-evaluator

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Pull requests list

Bump omsf-eco-infra/gha-runner from 0.4.0 to 0.5.0 dependencies Pull requests that update a dependency file github_actions Pull requests that update GitHub Actions code
#630 opened Mar 18, 2025 by dependabot bot Loading…
Add Equilibration Layer
#608 opened Jan 21, 2025 by lilyminium Loading… 0.5.0
3
19
[DNM] Add iteration 0
#603 opened Jan 21, 2025 by lilyminium • Draft
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
ProTip! Adding no:label will show everything without a label.