ReactionMechanismGenerator/RMG-database

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The database of chemical parameters used with Reaction Mechanism Generator

Stars: 127
Forks: 160
Open beginner issues: 0
Indexed issues: 93
Avg merge: 6d 2h
Merged PRs (30d): 2

Dominant language: Python
License: No license data
Last GitHub push: Sep 14, 2026
Latest indexed: Sep 19, 2026
Contributing guide: No contributing guide
Code of conduct: No code of conduct
Beginner labels: No beginner labels indexed

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93 open issues indexed

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
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
CO2 + O <=> CO3 generated from R_Addition_MultipleBond Open

ReactionMechanismGenerator/RMG-database#706 · 2 assignees · Opened Feb 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
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
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
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
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
DatabaseError with Thermo Parameters Open

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

ReactionMechanismGenerator/RMG-database#664 · 1 comment · Opened Sep 10, 2024
Make sure that reaction families appear in reccomended.py Open

Topic: Kinetics

Difficulty 4/5 3-5 days Newbie friendliness 42/100

ReactionMechanismGenerator/RMG-database#657 · Opened Jul 2, 2024
Improve critical property unit tests Open

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

ReactionMechanismGenerator/RMG-database#654 · Opened Jun 13, 2024
Bad guess of kinetics in H Abstraction family tree Open

ReactionMechanismGenerator/RMG-database#651 · 1 assignee · Opened May 30, 2024
CH2* replaced by CH2 for a reaction in JetSurf2.0 mechanism Open

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

ReactionMechanismGenerator/RMG-database#649 · 1 comment · Opened May 8, 2024
Incorrect rate for HO2+OH=H2O+O2 in primaryH2O2 library Open

Complexity: Low Topic: Kinetics Type: Error

ReactionMechanismGenerator/RMG-database#647 · 1 assignee · Opened Mar 29, 2024
should we include data for k(T, P0) = 0? Open

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

ReactionMechanismGenerator/RMG-database#643 · 2 comments · Opened Mar 18, 2024
Group Additivity Values-Missing groups and Various sources Open

Difficulty 5/5 Over a week Newbie friendliness 20/100

ReactionMechanismGenerator/RMG-database#637 · Opened Feb 20, 2024
Missing Riedel Equation Parameters for Methanol Open

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

ReactionMechanismGenerator/RMG-database#634 · 4 comments · Opened Oct 27, 2023
Ghosh et al. 2022 group additivity values Open

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

ReactionMechanismGenerator/RMG-database#616 · Opened Mar 28, 2023
5 reactions that have to be checked in detail Open

Status: Discussion Needed Topic: Kinetics Type: Risk of Error

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

ReactionMechanismGenerator/RMG-database#614 · Opened Mar 17, 2023
Refit ATG Open

Complexity: Low Topic: Kinetics

Difficulty 4/5 3-5 days Newbie friendliness 42/100

ReactionMechanismGenerator/RMG-database#609 · Opened Mar 2, 2023
Biphenyl as a solvent Open

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

ReactionMechanismGenerator/RMG-database#604 · Opened Jan 6, 2023
New GA values for PAHs? Open

Difficulty 4/5 3-5 days Newbie friendliness 30/100

ReactionMechanismGenerator/RMG-database#600 · Opened Nov 17, 2022
BM Tree Fitting Gets Stuck in a Loop Open

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

ReactionMechanismGenerator/RMG-database#599 · 1 comment · Opened Oct 26, 2022
Misleading species names in thermo libraries Open

ReactionMechanismGenerator/RMG-database#598 · 1 assignee · Opened Sep 26, 2022
Auto-generated tree groups labeled with autoGenerated = False Open

ReactionMechanismGenerator/RMG-database#589 · 1 assignee · Opened Jul 7, 2022
PAH thermo library Open

Topic: Aromatics Topic: Thermo

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

ReactionMechanismGenerator/RMG-database#586 · Opened May 29, 2022
Issues in the `XY_Addition_MultipleBond` training data and corresponding libraries Open

Complexity: Low Type: Risk of Error

ReactionMechanismGenerator/RMG-database#573 · 3 comments · 2 assignees · Opened Mar 28, 2022
CH2O2 birad - super fast methane flames? Open

Topic: Kinetics

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

ReactionMechanismGenerator/RMG-database#564 · 1 reaction · Opened Feb 8, 2022
Thermo groups regression test Open

Topic: Thermo Type: Risk of Error

ReactionMechanismGenerator/RMG-database#558 · 1 assignee · Opened Jan 12, 2022
C3MechV3.3 Open

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

ReactionMechanismGenerator/RMG-database#557 · 8 comments · Opened Jan 10, 2022
Thermo inconsistencies in training reactions Open

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

ReactionMechanismGenerator/RMG-database#538 · Opened Oct 21, 2021
Coverage dependence sign(s) incorrect in surface kinetics library? Open

Topic: Catalysis

ReactionMechanismGenerator/RMG-database#517 · 2 comments · 1 assignee · Opened Aug 10, 2021
LHM & ERM NO oxidation and the adsorption configurations of NO2* bidentate Open

Topic: Catalysis

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

ReactionMechanismGenerator/RMG-database#477 · 2 comments · Opened May 7, 2021
O=C=C=C=O thermo Open

Topic: Thermo

Difficulty 4/5 3-5 days Newbie friendliness 32/100

ReactionMechanismGenerator/RMG-database#476 · 4 comments · Opened May 7, 2021
Explicit valence for atom # 9 C greater than permitted Open

Difficulty 5/5 Over a week Newbie friendliness 18/100

ReactionMechanismGenerator/RMG-database#474 · Opened May 4, 2021
Singlet O=O vdW species in Surface_Adsorption_Abstraction_vdW Open

Topic: Catalysis

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

ReactionMechanismGenerator/RMG-database#464 · 3 comments · Opened Apr 5, 2021
Duplicate surface reactions with the same kinetic Open

Topic: Catalysis

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

ReactionMechanismGenerator/RMG-database#463 · 1 comment · Opened Apr 5, 2021
Thermo for training reactions in reverse Open

Status: Discussion Needed Topic: Thermo

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

ReactionMechanismGenerator/RMG-database#461 · 11 comments · Opened Mar 22, 2021
Group Additivity Double Counting - O2s-O2s(Cds-O2d) and O2s-OsH Open

Complexity: Low Topic: Thermo

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

ReactionMechanismGenerator/RMG-database#460 · 1 comment · Opened Mar 17, 2021
Will the Cl_Abstraction reaction family be supported in near future? Open

ReactionMechanismGenerator/RMG-database#449 · 6 comments · 1 assignee · Opened Dec 31, 2020
Surface CPOX_Pt/Deutschmann2006 kinetics library is missing coverage-dependent effects Open

Topic: Catalysis

ReactionMechanismGenerator/RMG-database#444 · 2 assignees · Opened Oct 2, 2020
Question about C2H4+O_Klipp2017 library Open

ReactionMechanismGenerator/RMG-database#441 · 4 comments · 1 assignee · Opened Sep 28, 2020
Duplicate surface reactions with different kinetics Open

Topic: Catalysis Topic: Kinetics

ReactionMechanismGenerator/RMG-database#432 · 2 assignees · Opened Jul 9, 2020
Termination due to "uncaught exception" Open

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

ReactionMechanismGenerator/RMG-database#428 · 6 comments · Opened Jun 4, 2020
Incorrect labelling with importChemkinLibrary.py script Open

ReactionMechanismGenerator/RMG-database#399 · 1 reaction · 1 assignee · Opened Apr 25, 2020
importChemkinLibrary.py Open

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

ReactionMechanismGenerator/RMG-database#397 · 1 reaction · Opened Apr 5, 2020
Adding halogen nodes, AtomType for monovalent (non-terminal) atoms Open

ReactionMechanismGenerator/RMG-database#394 · 2 comments · 1 assignee · Opened Mar 26, 2020
Some MultiPDepArrhenius rates in libraries don't validate in Cantera Open

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

ReactionMechanismGenerator/RMG-database#379 · 2 comments · Opened Jan 10, 2020
R_Recombination rules too fast, again Open

ReactionMechanismGenerator/RMG-database#378 · 1 comment · 1 assignee · Opened Jan 5, 2020

ReactionMechanismGenerator/RMG-database

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