Issues

• Update benchmarks automation

  openforcefield/openff-interchange#1556 · Filter by author mattwthompson opened on Oct 30, 2026
  

• MDConfig.write_mdp_file emits invalid rvdwswitch key

  openforcefield/openff-interchange#1555 · Filter by author swf1996120 opened on Oct 30, 2026

• MDConfig.apply fails for valid non-periodic Interchange objects

  openforcefield/openff-interchange#1554 · Filter by author swf1996120 opened on Oct 30, 2026

• Interchange.combine silently accepts unequal periodic box vectors

  openforcefield/openff-interchange#1553 · Filter by author swf1996120 opened on Oct 30, 2026

• Plans for ingesting an mBuild Compound into Interchange?

  openforcefield/openff-interchange#1524 · Filter by author joelaforet opened on Aug 10, 2026
  1

  

• Virtual site example is somewhat flaky

  openforcefield/openff-interchange#1518 · Filter by author mattwthompson opened on Jul 17, 2026

• Update (most) tests to use Sage 2.3.0

  good first issue
  openforcefield/openff-interchange#1517 · Filter by author mattwthompson opened on Jul 15, 2026
  1

  

• Investigate flaky tests

  openforcefield/openff-interchange#1471 · Filter by author mattwthompson opened on Mar 25, 2026
  

• Buckingham VSite handler tries to get parameters by SMIRKS

  openforcefield/openff-interchange#1457 · Filter by author lilyminium opened on Mar 3, 2026

• Separate proper and improper torsions into different OpenMM forces?

  feedback neededopenmm
  openforcefield/openff-interchange#1447 · Filter by author mattwthompson opened on Feb 25, 2026

• ConstraintsCollection always added, even when empty

  openforcefield/openff-interchange#1432 · Filter by author mattwthompson opened on Feb 19, 2026

• Remove (this) packmol wrapper

  good first issuesystem preparation
  openforcefield/openff-interchange#1428 · Filter by author mattwthompson opened on Feb 12, 2026

• Deprecate (this) Packmol wrapper

  good first issuesystem preparation
  openforcefield/openff-interchange#1427 · Filter by author mattwthompson opened on Feb 12, 2026

• Some orders of imported component combination fail

  openforcefield/openff-interchange#1422 · Filter by author j-wags opened on Feb 3, 2026

• Improve example runtime

  amberdocumentationgromacsopenmmpolymer-performance
  openforcefield/openff-interchange#1379 · Filter by author mattwthompson opened on Nov 26, 2025
  

• Bump dependencies in docs environment

  dependenciesgood first issue
  openforcefield/openff-interchange#1367 · Filter by author mattwthompson opened on Nov 6, 2025 · 0.5.0

• Missing PBC in bonded forces when using to_openmm_simulation causes large energies in polymers

  openforcefield/openff-interchange#1335 · Filter by author galioguo opened on Sep 21, 2025
  10

• Debug NAGL example assignment time

  polymer-performance
  openforcefield/openff-interchange#1311 · Filter by author mattwthompson opened on Aug 23, 2025 · 0.5.0

• Improve Interchange.combine tests

  openforcefield/openff-interchange#1300 · Filter by author mattwthompson opened on Aug 14, 2025
  1

• Fix "slow" test configuration

  openforcefield/openff-interchange#1287 · Filter by author mattwthompson opened on Aug 7, 2025 · 0.6.0

• Consider renaming EnergyReport.compare

  openforcefield/openff-interchange#1284 · Filter by author mattwthompson opened on Jul 30, 2025 · 1.0

• Make Interchange.topology read-only

  openforcefield/openff-interchange#1282 · Filter by author mattwthompson opened on Jul 29, 2025 · 1.0
  2

  

• Improve interoperability testing on systems containing biopolymers

  openforcefield/openff-interchange#1281 · Filter by author mattwthompson opened on Jul 29, 2025 · 1.0

• Improve runtime performance on systems containing biopolymers

  polymer-performance
  openforcefield/openff-interchange#1280 · Filter by author mattwthompson opened on Jul 29, 2025 · 1.0

• Standardize warnings about ff14SB port in examples

  openforcefield/openff-interchange#1258 · Filter by author j-wags opened on Jul 10, 2025 · 0.5.0