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ReactionMechanismGenerator

5 indexed repositories · View on GitHub

RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).

Python · 530 stars
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator

Python · 127 stars
ARC
ARC - Automatic Rate Calculator

Python · 51 stars
RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)

Python · 22 stars
T3
The Tandem Tool (T3) for automated chemical kinetic model development

Python · 14 stars

Beginner friendly Everything

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deduce_method_type() substring-matches 'am' inside 'cam-b3lyp': every CAM functional types as semi-empirical Open

Difficulty 3/5 1-2 days Newbie friendliness 72/100

ReactionMechanismGenerator/ARC#1049 · Opened Sep 8, 2026
Reaction multiplicity silently resolves to 1 when species are attached after first access Open

Difficulty 3/5 1-2 days Newbie friendliness 76/100

ReactionMechanismGenerator/ARC#1048 · Opened Sep 7, 2026
Linear adapter returns no guess for one requested atom map, and reports success anyway Open

Difficulty 4/5 3-5 days Newbie friendliness 68/100

ReactionMechanismGenerator/ARC#1045 · Opened Sep 7, 2026
Reaction label is not validated when reactants/products are given, causing a late IndexError in flip_reaction Open

Difficulty 2/5 1-3 hours Newbie friendliness 76/100

ReactionMechanismGenerator/ARC#1043 · Opened Sep 7, 2026
LinearAdapter silently ignores a pre-set atom map, returning identical TS guesses for different maps Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/ARC#1042 · Opened Sep 7, 2026
Security incident: compromised account force-pushed malware to RMG repositories (2026-09-06) Open

Difficulty 4/5 3-5 days Newbie friendliness 25/100

ReactionMechanismGenerator/RMG-Py#3008 · Opened Sep 6, 2026
deduce_method_type substring-matches 'am' inside 'cam', so CAM-B3LYP types as semiempirical and open-shell species run restricted Open

Difficulty 3/5 1-2 days Newbie friendliness 74/100

ReactionMechanismGenerator/ARC#1033 · Opened Aug 31, 2026
Mismatched conformer degrees of freedom pass silently through TST, then surface as a bare "Singular matrix" in the MSC solve Open

Difficulty 3/5 1-2 days Newbie friendliness 65/100

ReactionMechanismGenerator/RMG-Py#3003 · Opened Aug 25, 2026
NMD check rejects a likely-correct late H_Abstraction TS, and deletes the IRC jobs that would adjudicate it Open

Difficulty 4/5 3-5 days Newbie friendliness 52/100

ReactionMechanismGenerator/ARC#1002 · Opened Aug 19, 2026
Level: unify the 'does this level carry meaningful args?' predicate between __str__ and as_dict() Open

Difficulty 2/5 1-3 hours Newbie friendliness 78/100

ReactionMechanismGenerator/ARC#987 · Opened Aug 15, 2026
Brute-force directed scans optimize freely at every point (Scheduler.run_job passes constraints=None) — flat V(φ) Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/ARC#986 · Opened Aug 15, 2026
PFR flux: surface (heterogeneous) reaction support is broken Open

Type: Bug

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/T3#182 · Opened Aug 14, 2026
Flaky: test_initialize_output_dict fails intermittently under xdist (order-dependent) Open

Difficulty 2/5 1-3 hours Newbie friendliness 76/100

ReactionMechanismGenerator/ARC#984 · Opened Aug 14, 2026
Local pipe: concurrent arrays oversubscribe the CPU budget (stateless local_worker_limit) Open

Difficulty 5/5 Over a week Newbie friendliness 35/100

ReactionMechanismGenerator/ARC#961 · Opened Aug 11, 2026
improved trsh Open

Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 35/100

ReactionMechanismGenerator/ARC#933 · 1 comment · Opened Jul 28, 2026
Extend arc/settings/settings_test.py to cover all external adapters Open

Difficulty 3/5 1-2 days Newbie friendliness 76/100

ReactionMechanismGenerator/ARC#929 · Opened Jul 27, 2026
Fix LOT syntax automatically Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/ARC#922 · Opened Jul 24, 2026
Conda can't find pysidt-rmg[version='>=1.2'] to make new environment when installing Open

Difficulty 3/5 1-2 days Newbie friendliness 55/100

ReactionMechanismGenerator/RMG-Py#2989 · Opened Jul 21, 2026
Proposal: Splitting CI pipelines into PR and Nightly workflows to accelerate development Open

dependencies github_actions Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 30/100

ReactionMechanismGenerator/ARC#916 · 2 comments · Opened Jul 20, 2026
problems with svg images Open

Difficulty 3/5 1-2 days Newbie friendliness 45/100

ReactionMechanismGenerator/RMG-Py#2985 · 1 comment · Opened Jun 25, 2026
CH2NNHj has suspicious entropy in thermo libraries Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/RMG-database#740 · 1 comment · Opened Jun 22, 2026
typo on the kinetics families page Open

Difficulty 2/5 1-3 hours Newbie friendliness 76/100

ReactionMechanismGenerator/RMG-website#305 · Opened Jun 19, 2026
NO gas missing R*ln(2) in entropy in PrimaryThermoLibrary Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/RMG-database#737 · 8 comments · Opened Jun 15, 2026
xtb-python to tblite Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/ARC#899 · Opened Jun 14, 2026
Duplicate reactions added when library included in libraries and seed Open

stale

Difficulty 3/5 1-2 days Newbie friendliness 67/100

ReactionMechanismGenerator/RMG-Py#2979 · 1 comment · Opened Jun 9, 2026
Identify proper LOT format by software Open

Type: Feature

Difficulty 3/5 1-2 days Newbie friendliness 55/100

ReactionMechanismGenerator/ARC#896 · Opened Jun 8, 2026
Bump minimum Cantera to `>=3.2` and adopt the modern API ? Open

stale

Difficulty 4/5 3-5 days Newbie friendliness 68/100

ReactionMechanismGenerator/RMG-Py#2977 · 1 comment · Opened Jun 4, 2026
Downloading .svg of graphs for groups does not work Open

Error

Difficulty 3/5 1-2 days Newbie friendliness 64/100

ReactionMechanismGenerator/RMG-website#304 · Opened Mar 30, 2026
Server error when running populate reactions tool on website Open

Difficulty 3/5 1-2 days Newbie friendliness 45/100

ReactionMechanismGenerator/RMG-website#302 · Opened Mar 2, 2026
Writing input files fails for liquid cat reactor Open

stale

ReactionMechanismGenerator/RMG-Py#2883 · 2 comments · 1 assignee · Opened Feb 9, 2026
CO2 + O <=> CO3 generated from R_Addition_MultipleBond Open

ReactionMechanismGenerator/RMG-database#706 · 2 assignees · Opened Feb 5, 2026
Not recognising family since 3.12 update Open

Type: Bug

Difficulty 4/5 3-5 days Newbie friendliness 52/100

ReactionMechanismGenerator/ARC#813 · 2 comments · Opened Jan 5, 2026
Invalid Plog in Klippenstein_Glarborg2016 Open

Difficulty 5/5 Over a week Newbie friendliness 30/100

ReactionMechanismGenerator/RMG-database#705 · Opened Dec 22, 2025
Should remove the "old adjacency list" block from molecule results. Open

Difficulty 4/5 3-5 days Newbie friendliness 45/100

ReactionMechanismGenerator/RMG-website#301 · Opened Oct 29, 2025
We should add the new Theoretically Informed Kinetics (ThInK) library Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/RMG-database#701 · Opened Oct 20, 2025
NIST Kinetics search link issue Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

ReactionMechanismGenerator/RMG-website#300 · Opened Oct 14, 2025
singlet oxygen getting added to mechanism through decay operation Open

bug

ReactionMechanismGenerator/RMG-Py#2849 · 3 comments · 1 assignee · Opened Sep 12, 2025
Revisit AEC/BAC notebooks after ARC update, and possibly add notebooks to CI? Open

Type: Risk of Error

Difficulty 4/5 3-5 days Newbie friendliness 28/100

ReactionMechanismGenerator/RMG-database#698 · Opened Jul 9, 2025
Include 2025 workshop materials on resources tab. Open

Difficulty 1/5 Under an hour Newbie friendliness 45/100

ReactionMechanismGenerator/RMG-website#299 · 2 comments · 1 reaction · Opened Jul 9, 2025
Feature: If a species was computed in a previous iteration, search for its Arkane YAML file Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#163 · Opened Jun 1, 2025
Displaying kinetics rules is buggy? Open

Difficulty 3/5 1-2 days Newbie friendliness 45/100

ReactionMechanismGenerator/RMG-website#296 · 2 comments · Opened May 20, 2025
O2(2) + CH2(T) reactions from pdep network - speeding up flame speed for fluoromethane. Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/RMG-database#691 · 2 comments · Opened May 14, 2025
Issue with deremining reaction family under the new functionality Open

Type: Bug

Difficulty 3/5 1-2 days Newbie friendliness 48/100

ReactionMechanismGenerator/ARC#787 · 2 comments · Opened Apr 23, 2025
Failure when trying to convert chemkin file on website Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

ReactionMechanismGenerator/RMG-website#297 · 5 comments · Opened Mar 25, 2025
Kinetics libraries could include more `shortDesc` strings Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/RMG-database#680 · Opened Feb 14, 2025
Several new kinetics families are missing template diagrams Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/RMG-database#679 · 1 comment · Opened Feb 3, 2025
Only One Balance Species Open

bug Complexity: Low Good First Issue Type: Bug

Difficulty 4/5 3-5 days Newbie friendliness 38/100

ReactionMechanismGenerator/RMG-Py#2755 · 1 comment · Opened Jan 31, 2025
`TypeError` when searching kinetics Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

ReactionMechanismGenerator/RMG-website#288 · 5 comments · Opened Jan 31, 2025
Mismatch in Angles After Z-matrix to XYZ Conversion in zmat_to_xyz Open

Type: Bug

ReactionMechanismGenerator/ARC#779 · 4 comments · 2 assignees · Opened Dec 26, 2024
"Create Training rate from average" in the website not working Open

Difficulty 3/5 1-2 days Newbie friendliness 25/100

ReactionMechanismGenerator/RMG-website#287 · Opened Dec 14, 2024

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