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Pull requests: openforcefield/openff-toolkit

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8 Open 1,149 Closed
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Pull requests list

fix: ensure to_file() output ends with trailing newline
#2205 opened Jun 18, 2026 by gaoflow Loading…
1
Update examples dependencies
#2203 opened Jun 18, 2026 by mattwthompson Member • Draft
5 of 9 tasks
1
1
Fall back through toolkits for InChI conversion methods
#2202 opened Jun 15, 2026 by gaoflow Loading…
1
Test Python 3.14
#2193 opened Jun 5, 2026 by mikemhenry Collaborator • Draft
5 tasks
13
Use Pixi to manage examples
#2190 opened Jun 1, 2026 by mattwthompson Member Loading…
1 of 5 tasks
@j-wags
1
Add AshGC to Molecule.assign_partial_charges docstring
#2185 opened May 19, 2026 by mattwthompson Member Loading…
7 of 9 tasks
1
1
Debug RDKit-based examples workflow
#2183 opened May 14, 2026 by mattwthompson Member • Draft
5 tasks
1
Require RDKit
#2180 opened May 13, 2026 by mattwthompson Member • Draft
1 of 5 tasks
1
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