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[pre-commit.ci] pre-commit autoupdate updates: - [github.com/astral-sh/ruff-pre-commit: v0.16.4 → v0.16.6](https://github.com/astral-sh/ruff-pre-commit/compare/v0.16.4...v0.16.6) - [github.com/pre-commit/mirrors-clang-format: v22.1.8 → v23.1.0](https://github.com/pre-commit/mirrors-clang-format/compare/v22.1.8...v23.1.0) - [github.com/MarcoGorelli/cython-lint: v0.21.0 → v0.21.1](https://github.com/MarcoGorelli/cython-lint/compare/v0.21.0...v0.21.1)

pre-commit-ci-update-config

6 days ago

test: benchmark accelerated periodic bond dispatch

hcustc:perf/periodic-bond-candidate-search

6 days ago

fix: retain variable-length compact molecule names Keep deduplicated species strings in an object array to preserve the upstream memory bound, and adapt the selective-output assertions to inspect the compact table. Validate both VF2 and SMILES paths.

hcustc:fix/compact-step3-state

6 days ago

fix: preserve Step 3 output compatibility Keep HMM records aligned with retained origin metadata, including zero signals. Retry compact state allocation in the default temporary directory when the output parent denies scratch allocation. Cover reaction-output parity and cleanup when either preferred allocation fails.

hcustc:fix/compact-step3-state

6 days ago

fix: preserve periodic Open Babel connectivity

hcustc:perf/periodic-bond-candidate-search

6 days ago

fix: declare artifact output paths

SchrodingersCattt:feature/output-dir

6 days ago

fix: preserve periodic Open Babel connectivity

hcustc:perf/periodic-bond-candidate-search

6 days ago

fix: preserve periodic Open Babel connectivity

hcustc:perf/periodic-bond-candidate-search

6 days ago

Latest Branches

+5%

[pre-commit.ci] pre-commit autoupdate#2488

6 days ago

020f301

pre-commit-ci-update-config

+91%

perf: accelerate periodic bond candidate search#2480

6 days ago

79c4862

hcustc:perf/periodic-bond-candidate-search

0%

fix: compact Step 3 state storage#2478

6 days ago

9ca3a00

hcustc:fix/compact-step3-state

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