Issues: ReactionMechanismGenerator/RMG-Py
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Can't construct surface rmgpy.molecule.Molecule()
Topic: Catalysis
#2603
opened Feb 5, 2024 by
sevyharris
maximumEdgeSpecies
ignored if toleranceThermoKeepSpeciesInEdge
is not given
bug
#2575
opened Nov 14, 2023 by
PoojaNem
Potential Bug in Critical Pressure Estimation
bug
bug which will never be closed by the actions bot
#2569
opened Oct 30, 2023 by
mjohnson541
get_deterministic_sssr
is not really deterministic
bug
#2562
opened Oct 24, 2023 by
xiaoruiDong
Status Tracking:
chemprop
and ML Thermochemistry Prediction
Announcement
#2559
opened Oct 17, 2023 by
JacksonBurns
1 task done
Arkane takes a long time to run due to loading Julia dependencies
#2547
opened Sep 20, 2023 by
jonwzheng
yaml writer slows down execution
bug
bug which will never be closed by the actions bot
#2499
opened Jul 10, 2023 by
ChrisBNEU
Regression test model comparison tool attributes wrong reaction family?
bug
bug which will never be closed by the actions bot
#2492
opened Jun 23, 2023 by
rwest
Consistent Non-deterministic Behavior in Thermo (polycylic) and Kinetics (Peroxyl_Disproportionation)
bug
bug which will never be closed by the actions bot
#2490
opened Jun 22, 2023 by
rwest
Rebuild Python PRs and Issues related to transitioning from Python 3.7 to 3.11
pydas
and pydqed
for Python 3.11
Python 3.11 Transition
#2460
opened Jun 7, 2023 by
JacksonBurns
RMG/Cantera compatibility for Plog reactions
bug
bug which will never be closed by the actions bot
#2428
opened May 8, 2023 by
ChrisBNEU
Typo at RMG User's Guide
bug
bug which will never be closed by the actions bot
Good First Issue
#2165
opened Jun 24, 2021 by
Jakubanoo
Non-deterministic choice between ring(Cyclopropene) and ring(oxirene) ?
bug
bug which will never be closed by the actions bot
#2010
opened Aug 19, 2020 by
rwest
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