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Pull requests: openforcefield/openff-interchange

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Pull requests list

Clear internal caches when re-creating from same SMIRNOFF objects
#1456 opened Mar 2, 2026 by mattwthompson Loading…
2 of 3 tasks
1
Invalidate OpenMM caches at export time
#1452 opened Feb 27, 2026 by mattwthompson Loading…
3 of 4 tasks
1
1
Stage refactor to openff-packmol
#1423 opened Feb 5, 2026 by mattwthompson • Draft
1 of 3 tasks
@mattwthompson
1
Test on Python 3.14
#1414 opened Jan 13, 2026 by mattwthompson • Draft
3 tasks
1
Define Pydantic schema for Quantity
#1409 opened Jan 9, 2026 by mattwthompson • Draft
3 tasks
1
@mattwthompson
Add fix for charge assignment fallback and test
#1262 opened Jul 16, 2025 by j-wags • Draft
3 tasks
2
Look in $GMXDATA for missing force fields
#1226 opened May 20, 2025 by mattwthompson • Draft
3 tasks
1
Added simple rounding error solution
#1167 opened Feb 12, 2025 by pbuslaev Loading…
3 tasks
1
14
[DNM] Try processing more constraints to LAMMPS input files
#1160 opened Feb 5, 2025 by mattwthompson • Draft
3 tasks
Added triclinic boxes for lammps
#1095 opened Nov 6, 2024 by wutobias Loading…
1 of 3 tasks
9
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