donerancl

Postdoctoral Associate

Massachusetts Institute of Technology

Pinned Repositories

chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.8k 36 549583
ai-science-training-series
Language:Jupyter Notebook00
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python00
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
Language:Jupyter Notebook00
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python00
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python00
sedre
A lightweight parser for computational quantum chemistry
Language:Python00
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
Language:Jupyter Notebook75 8 7733
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python95 37 150139
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python395 49 1.2k227

donerancl/ai-science-training-series
Language:Jupyter Notebook00
donerancl/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python00
donerancl/ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
Language:Jupyter Notebook00
donerancl/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Language:Python00
donerancl/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python00
donerancl/sedre
A lightweight parser for computational quantum chemistry
Language:Python00