Pinned Repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
ai-science-training-series
chemprop
Message Passing Neural Networks for Molecule Property Prediction
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
sedre
A lightweight parser for computational quantum chemistry
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
donerancl's Repositories
donerancl/ai-science-training-series
donerancl/chemprop
Message Passing Neural Networks for Molecule Property Prediction
donerancl/ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
donerancl/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
donerancl/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
donerancl/sedre
A lightweight parser for computational quantum chemistry