Skip to content

Navigation Menu

Appearance settings

View all features
- BY COMPANY SIZE
  Enterprises
  Small and medium teams
  Startups
  Nonprofits
- BY USE CASE
  App Modernization
  DevSecOps
  DevOps
  CI/CD
  View all use cases
- BY INDUSTRY
  Healthcare
  Financial services
  Manufacturing
  Government
  View all industries
View all solutions
- EXPLORE BY TOPIC
  AI
  Software Development
  DevOps
  Security
  View all topics
- EXPLORE BY TYPE
  Customer stories
  Events & webinars
  Ebooks & reports
  Business insights
  GitHub Skills
- SUPPORT & SERVICES
  Documentation
  Customer support
  Community forum
  Trust center
  Partners
View all resources
- COMMUNITY
  GitHub SponsorsFund open source developers
- PROGRAMS
  Security Lab
  Maintainer Community
  Accelerator
  GitHub Stars
  Archive Program
- REPOSITORIES
  Topics
  Trending
  Collections
- ENTERPRISE SOLUTIONS
  Enterprise platformAI-powered developer platform
- AVAILABLE ADD-ONS
  GitHub Advanced SecurityEnterprise-grade security features
  Copilot for BusinessEnterprise-grade AI features
  Premium SupportEnterprise-grade 24/7 support
Pricing

Search code, repositories, users, issues, pull requests...

Search

Clear

Search syntax tips

Provide feedback

We read every piece of feedback, and take your input very seriously.

Include my email address so I can be contacted

Saved searches

Use saved searches to filter your results more quickly

Name

Query

To see all available qualifiers, see our documentation.

Appearance settings

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

ReactionMechanismGenerator / ARC Public

Notifications You must be signed in to change notification settings
Fork 24
Star 48

Code
Issues 82
Pull requests 41
Actions
Projects
Wiki
Security and quality
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Projects
Wiki
Security and quality
Insights

Added a `Linear` TS search job adapter#695

Open

alongd wants to merge 47 commits intomainReactionMechanismGenerator/ARC:mainfrom

linear_tsReactionMechanismGenerator/ARC:linear_tsCopy head branch name to clipboard

Conversation Commits47 (47)Checks Files changed

Open

Added a `Linear` TS search job adapter#695
alongd wants to merge 47 commits intomainfrom
linear_ts

Commits

Commits on Apr 28, 2026

Remove Julia installation from install_rmg
alongd
committed
Organize teardown in functional and common tests
alongd
committed
Added Claude to .gitignore
alongd
committed
Added a debug message if fragment mapping fails
alongd
committed
Modifications to CI
alongd
committed
Add pytest configuration with parallel execution and test paths
alongd
committed
Added Reaction.is_unimolecular()
alongd
committed
Tests: Reaction.is_unimolecular()
alongd
committed
Added 'linear' to ts_adapters_by_rmg_family
alongd
committed
Added check_ordered_zmats()
alongd
committed
Added linear to JobEnum
alongd
committed
Added the Linear TS search job adapter and related utils
alongd
committed
Tests: Linear TS Job Adapter and utils
alongd
committed
Added order_xyz_by_atom_map to converter
alongd
committed
Added update_zmat_by_xyz() to zmat
alongd
committed
Use the round_to arg in common get_angle_in_180_range()
alongd
committed
Add atom_order and anchors arguments to xyz_to_zmat()
alongd
committed
Added converter order_mol_by_atom_map()
alongd
committed
Added zmat find_smart_anchors()
alongd
committed
Updated the ts_adapters_by_rmg_family dict
alongd
committed
Tests: call self.job_3.execute() in OB tests
alongd
committed
Preserve radical sites when perceiving mol from xyz with an existing mol
alongd
committed
Added an iPY notebook to showcase the linear adapter
alongd
committed
Docs: Added descriptions of TS search methods implemented in ARC
alongd
committed
Added split_entries() to family
alongd
committed
Minor: Style modifications
alongd
committed
Tests: Added family tests
alongd
committed
Implement ts_adapters_for_unknown_unimolecular() in Scheduler
alongd
committed
Added economic_generation to conformers
alongd
committed
Tests: economic conformer generation
alongd
committed
Use economic_generation in scissors
alongd
committed
Minor: Added exist_ok to project directory os.makedirs in main
alongd
committed
Tests: Extended perception test
alongd
committed
cache ReactionFamily instances and groups.py reads per process
alongd
committed
Type hints leftover fixes
alongd
committed
f! ci
alongd
committed
f common tst
alongd
committed
f common 14
alongd
committed

Commits on Apr 30, 2026

f l tst
alongd
committed
f! l tsts
alongd
committed
f l utils
alongd
committed
f l utils tsts
alongd
committed
f linear
alongd
committed
f fam tst
alongd
committed
f! family
alongd
committed
Fixed: tani env drift
alongd
committed
f linear utils
alongd
committed

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.