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Pull requests: openforcefield/openff-toolkit

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6 Open 1,173 Closed
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Pull requests list

Stop OpenEyeToolkitWrapper from erroring on planar trivalent nitrogens if they have trivalent carbon neighbors
#2231 opened Sep 4, 2026 by j-wags Member • Draft
7 tasks done
3
@j-wags
2
More gently fail if AmberTools provenance fails
#2230 opened Sep 2, 2026 by mattwthompson Member Loading…
@mattwthompson
2
Merge utilities package
#2213 opened Jul 6, 2026 by mattwthompson Member Loading…
1 of 6 tasks
1
fix: ensure to_file() output ends with trailing newline
#2205 opened Jun 18, 2026 by binggao1230 Loading…
1
Fall back through toolkits for InChI conversion methods
#2202 opened Jun 15, 2026 by binggao1230 Loading…
1
1
Test Python 3.14
#2193 opened Jun 5, 2026 by mikemhenry Collaborator • Draft
5 tasks
13
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