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Pull requests: ReactionMechanismGenerator/ARC

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Pull requests list

Add a first-class validated input schema for ARC (pydantic, mirroring T3) Module: Main Module: Plotter
#926 opened Jul 26, 2026 by alongd Member Loading…
4
Add PySCF as a local in-core ESS adapter (sp + opt + freq)
#924 opened Jul 26, 2026 by alongd Member Loading…
4
build(deps): bump the core-actions group across 1 directory with 3 updates dependencies Pull requests that update a dependency file github_actions Pull requests that update GitHub Actions code
#923 opened Jul 24, 2026 by dependabot Bot Loading…
CREST Module: Converter Module: Species
#921 opened Jul 23, 2026 by calvinp0 Member Loading…
7
TS GCN - Fix
#920 opened Jul 22, 2026 by calvinp0 Member Loading…
1
Fix arkane lonepair adjlist main Module: Species
#919 opened Jul 22, 2026 by calvinp0 Member Loading…
1
Kinbot env
#918 opened Jul 21, 2026 by calvinp0 Member Loading…
14
Export tool-neutral ARC results and parser evidence Module: Scheduler Module: Species
#917 opened Jul 20, 2026 by calvinp0 Member Loading…
20
Fix multiplicity parity validation Module: Species
#914 opened Jul 20, 2026 by calvinp0 Member Loading…
7
Fix Docker build: resolve Julia sys.so not found in install_rms.sh
#910 opened Jul 9, 2026 by alongd Member Loading…
3
Fix NMD crash on un-mappable reactions and OS memory over-allocation trsh
#909 opened Jul 7, 2026 by alongd Member Loading…
4
Bump the third-party-actions group across 1 directory with 3 updates dependencies Pull requests that update a dependency file github_actions Pull requests that update GitHub Actions code
#907 opened Jul 3, 2026 by dependabot Bot Loading…
1
Optimize Atom Mapping procedure Module: Converter Module: Mapping Module: Processor Module: Species
#906 opened Jun 30, 2026 by kfir4444 Collaborator Loading…
25
Test: broken on remote? Module: Conformers Module: Converter Module: Mapping
#903 opened Jun 21, 2026 by kfir4444 Collaborator • Draft
TCKDB Integration Module: Main Module: Mapping Module: Processor Module: Scheduler Module: Species Module: SSH Module: trsh Troubleshooting
#890 opened May 14, 2026 by calvinp0 Member Loading…
37
scripts: harden rmg_kinetics & rmg_thermo
#889 opened May 14, 2026 by alongd Member Loading…
10
Add GoFlow and RitS TS search adapters
#887 opened May 7, 2026 by alongd Member Loading…
59
Add sp_composite focal-point/CBS single-point protocols examples Module: Converter Module: Main Module: Mapping Module: Plotter Module: Processor Module: Scheduler Module: Species Module: SSH Module: trsh Troubleshooting
#878 opened Apr 22, 2026 by alongd Member Loading…
15
Add ruff linting
#860 opened Apr 8, 2026 by alongd Member Loading…
7
Refactor ND scan subsystem with adaptive sparse 2D sampling, surface validation, and coupling classification Module: Plotter Module: Scheduler
#855 opened Apr 1, 2026 by alongd Member Loading…
33
Increase ARC's code coverage statistics. Module Functional
#835 opened Mar 16, 2026 by kfir4444 Collaborator Loading…
21
Update installation and running documentation
#827 opened Feb 1, 2026 by ranbenayoun Contributor Loading…
18
Reports test durations in CI Module Functional Module: Mapping Module: Processor Module: Species
#824 opened Jan 26, 2026 by calvinp0 Member • Draft
13
Improves restart and TS guess handling Module Functional Module: Scheduler Module: Species
#823 opened Jan 26, 2026 by calvinp0 Member Loading…
9
Mutated conformer jobs issue Module: Scheduler
#817 opened Jan 7, 2026 by calvinp0 Member Loading…
5
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