11 projects
rxnmapper
Reaction atom-mapping from transformers
gt4sd
Generative Toolkit for Scientific Discovery (GT4SD).
rxn-chem-utils
Chemistry-related utilities
rxn-utils
General utilities (not related to chemistry)
RXN4Chemistry
Python wrapper for IBM RXN for Chemistry
rxn-onmt-models
Training of OpenNMT-based RXN models
rxn-onmt-utils
Utilities related to the use of OpenNMT
rxn-opennmt-py
Fork of OpenNMT-py for use in RXN projects
rxn-metrics
Metrics for RXN models
rxn
pimkl
pathway induced multiple kernel learning for computational biology
