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Pull requests: choderalab/drugforge

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Pull requests list

Fix ligand from graphmol bug bug Something isn't working quick For PRs that should be quick to review
#145 opened Apr 1, 2026 by apayne97 Loading…
2 tasks done
1
[DNM] Add spectrum workflow
#140 opened Mar 5, 2026 by apayne97 Loading…
4 tasks
Fixing dependencies for alchemy CI workflows
#106 opened Sep 2, 2025 by ijpulidos Loading…
2 tasks
2
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
62
ProTip! Exclude everything labeled bug with -label:bug.