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chemprop
chemprop PublicForked from chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Jupyter Notebook 3
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RMG-database
RMG-database PublicForked from ReactionMechanismGenerator/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
Python
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RMG-Py
RMG-Py PublicForked from ReactionMechanismGenerator/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Python
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