Junren Li's repositories
RetroRanker
RetroRanker, a ranking model built upon the graph neural network to mitigate the frequency bias in predictions of existing retrosynthesis models through re-ranking.
LM_in_Chemistry
A draft for PhysChem Seminar.
Retro-BLEU
Retro-BLEU is designed to assess the quality of generated retrosynthesis routes.
aizynthfinder
A tool for retrosynthetic planning
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aizynthtrain
Tools to train synthesis prediction models
Language:PythonApache-2.0000
bondnet
A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
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Language:PythonMIT000
Sterimol
Calculate Sterimol Parameters from Sructure Input/Output Files
Language:PythonMIT000
Language:Python000