/tools/rxn-ebm

rxn-ebm

coleygroup/rxn-ebm

GitHub
modelcheminformaticstoolsmall-moleculeretrosynthesis
34 stars7 forksPythonAdded February 8, 2026
summary

The 'rxn-ebm' repository implements energy-based modeling to enhance the performance of retrosynthesis models by re-ranking reactant predictions. It leverages machine learning to analyze reaction databases and improve synthesis planning for organic chemistry.

description

Energy-based modeling of chemical reactions

topics

deep-learninggraph-neural-networkspytorchrerankingretrosynthesis

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!