20 projects
paperscraper
paperscraper: Package to scrape papers.
rxnmapper
Reaction atom-mapping from transformers
RXN4Chemistry
Python wrapper for IBM RXN for Chemistry
rxn-onmt-models
Training of OpenNMT-based RXN models
rxn-reaction-preprocessing
Reaction preprocessing tools
gt4sd
Generative Toolkit for Scientific Discovery (GT4SD).
enzeptional
Enzeptional stand-alone python package.
rxn-chem-utils
Chemistry-related utilities
rxn-availability
Describe your project here.
rxn-utils
General utilities (not related to chemistry)
gt4sd-trainer-hf-pl
Transformers trainer submodule of GT4SD.
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
gt4sd-molformer
Molformer's submodule of GT4SD.
rxn-biocatalysis-tools
Tools for pre-processing and evaluating data associated with biocatalysis models.
rxn
pimkl
pathway induced multiple kernel learning for computational biology
upfp
UPFP, a package to parse UniProt FASTA files.
brontes
Brontes is your helping cyclops for pytorch models training.
