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Pull requests: choderalab/drugforge

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Pull requests list

Rev pydantic2 for alchemy
#132 opened Jan 22, 2026 by chrisiacovella Loading…
4 tasks
Populate conformer tags from tags kwargs on from_oemol in Ligand schema quick For PRs that should be quick to review
#131 opened Jan 14, 2026 by apayne97 Loading…
4 tasks done
release 0.7.2
[pre-commit.ci] pre-commit autoupdate
#127 opened Jan 5, 2026 by pre-commit-ci bot Loading…
1
Fixing dependencies for alchemy CI workflows
#106 opened Sep 2, 2025 by ijpulidos Loading…
2 tasks
2
Small improvements to spectrum
#100 opened Aug 26, 2025 by mariacm12 Loading…
5 of 6 tasks
release 0.7.2
1
1
Add docking-only workflow
#97 opened Aug 19, 2025 by apayne97 Loading…
12 tasks done
release 0.7.2
3
@apayne97
3
Move minimize to simulation
#83 opened Jul 30, 2025 by mariacm12 Loading…
3 of 7 tasks
1
[DNM] Move docking scorers
#54 opened Jul 1, 2025 by apayne97 Loading…
4 of 5 tasks
1
8
Remove fitness from spectrum
#45 opened Jun 17, 2025 by mariacm12 Loading…
3 of 5 tasks
@mariacm12
[DNM] make pure docking workflows minimally dependent on other packages
#40 opened May 21, 2025 by apayne97 Loading…
1 of 4 tasks
1
Full Pydantic V2 support & latest MTENN (0.7.8) support
#2 opened Apr 2, 2025 by kaminow Loading… release 0.8
4
ProTip! What’s not been updated in a month: updated:<2026-01-02.