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Set box vectors for GROMACS example lint #4739: Commit e211978 pushed by mattwthompson
November 4, 2024 15:07 19s test-interchange-0.4.0beta1
test-interchange-0.4.0beta1
November 4, 2024 15:07 19s
Do not cast residue ids/numbers in Topology.from_openmm (#1954) lint #4738: Commit cb6bcc4 pushed by mattwthompson
November 1, 2024 18:37 15s main
main
November 1, 2024 18:37 15s
Update Antechamber error message (#1950) lint #4737: Commit 8f1cbe5 pushed by mattwthompson
November 1, 2024 16:10 15s main
main
November 1, 2024 16:10 15s
Update release notes lint #4736: Commit d09dd98 pushed by mattwthompson
November 1, 2024 16:04 25s openmm-residue-ids-are-strings
openmm-residue-ids-are-strings
November 1, 2024 16:04 25s
Requires RDKit lint #4735: Commit 18eae56 pushed by mattwthompson
October 30, 2024 15:59 18s openmm-residue-ids-are-strings
openmm-residue-ids-are-strings
October 30, 2024 15:59 18s
Do not cast residue ids to int lint #4734: Commit da8079b pushed by mattwthompson
October 30, 2024 15:50 18s openmm-residue-ids-are-strings
openmm-residue-ids-are-strings
October 30, 2024 15:50 18s
Reproduce issue #1953 lint #4733: Commit bd9f42c pushed by mattwthompson
October 30, 2024 15:35 15s openmm-residue-ids-are-strings
openmm-residue-ids-are-strings
October 30, 2024 15:35 15s
Update a test regex lint #4732: Commit cec2532 pushed by mattwthompson
October 28, 2024 20:37 15s test-interchange-0.4.0beta1
test-interchange-0.4.0beta1
October 28, 2024 20:37 15s
Fix dependencies lint #4731: Commit b8c2fc2 pushed by mattwthompson
October 28, 2024 20:08 19s test-interchange-0.4.0beta1
test-interchange-0.4.0beta1
October 28, 2024 20:08 19s
Test on ARM, not Intel macOS lint #4730: Commit f00040c pushed by mattwthompson
October 25, 2024 13:41 17s no-intel-macos
no-intel-macos
October 25, 2024 13:41 17s
Remove unused fixture(s) lint #4729: Commit c974c74 pushed by mattwthompson
October 24, 2024 13:28 20s dead-fixtures
dead-fixtures
October 24, 2024 13:28 20s
Updates for Interchange 0.4.0/Pydantic v2 lint #4728: Commit 88d23db pushed by mattwthompson
October 24, 2024 13:19 14s test-interchange-0.4.0beta1
test-interchange-0.4.0beta1
October 24, 2024 13:19 14s
Update Antechamber error message lint #4727: Commit 3a7d4b8 pushed by mattwthompson
October 24, 2024 13:09 17s antechamber-error-message
antechamber-error-message
October 24, 2024 13:09 17s
Drop back down to macos-12 lint #4726: Commit a624250 pushed by mattwthompson
October 24, 2024 12:59 16s bump-intel-mac
bump-intel-mac
October 24, 2024 12:59 16s
Actions updates lint #4725: Commit ca0ceea pushed by mattwthompson
October 23, 2024 21:30 15s bump-intel-mac
bump-intel-mac
October 23, 2024 21:30 15s
Merge remote-tracking branch 'upstream/main' into test-interchange-0.… lint #4724: Commit 444a095 pushed by mattwthompson
October 17, 2024 15:05 20s test-interchange-0.4.0beta1
test-interchange-0.4.0beta1
October 17, 2024 15:05 20s
Bump version lint #4723: Commit 4145766 pushed by mattwthompson
October 17, 2024 15:03 14s test-interchange-0.4.0beta1
test-interchange-0.4.0beta1
October 17, 2024 15:03 14s
Also examples lint #4722: Commit dd6f4ed pushed by mattwthompson
October 16, 2024 21:40 18s test-macos
test-macos
October 16, 2024 21:40 18s
[pre-commit.ci] pre-commit autoupdate lint #4721: Commit 9da044d pushed by pre-commit-ci bot
October 7, 2024 21:46 40s pre-commit-ci-update-config
pre-commit-ci-update-config
October 7, 2024 21:46 40s
Update RDKit versions used in tests (#1942) lint #4720: Commit 6aa989e pushed by j-wags
October 4, 2024 23:12 13s main
main
October 4, 2024 23:12 13s
update releasehistory lint #4719: Commit bad5456 pushed by j-wags
October 4, 2024 22:21 13s update-rdkit
update-rdkit
October 4, 2024 22:21 13s
test configuration housekeeping lint #4718: Commit 6159b62 pushed by j-wags
October 4, 2024 22:16 14s update-rdkit
update-rdkit
October 4, 2024 22:16 14s
Bump mamba-org/setup-micromamba from 1 to 2 lint #4717: Commit 15c392c pushed by dependabot bot
October 3, 2024 23:10 46s dependabot/github_actions/mamba-org/setup-micromamba-2
dependabot/github_actions/mamba-org/setup-micromamba-2
October 3, 2024 23:10 46s
0.16.5 post-release lint #4716: Commit df251d3 pushed by mattwthompson
October 3, 2024 16:38 32s main
main
October 3, 2024 16:38 32s
Fix merge (#1943) lint #4715: Commit f8110b5 pushed by mattwthompson
October 3, 2024 16:15 27s 0.16.5
0.16.5
October 3, 2024 16:15 27s