Ye-Buehler

Cheminformatics PhD student @ UniBern.

@reymond-groupUniversität Bern

Pinned Repositories

aizynthfinder
A tool for retrosynthetic planning
Language:Python1 0 00
map4
The MinHashed Atom Pair fingerprint of radius 2
Language:CSS0 0 00
mhfp
Molecular MHFP fingerprints for cheminformatics applications
Language:Python0 0 00
Molecular_Framework_Model
Language:HTML4 1 01
Molecule_Breakdown_Model
Language:Jupyter Notebook4 1 01
OpenNMT-py
Language:Python1 0 00
RAscore
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Language:Python0 0 00
rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
Language:Python0 0 00

Ye-Buehler/Molecular_Framework_Model
Language:HTML4 1 01
Ye-Buehler/Molecule_Breakdown_Model
Language:Jupyter Notebook4 1 01
Ye-Buehler/aizynthfinder
A tool for retrosynthetic planning
Language:Python1 0 00
Ye-Buehler/OpenNMT-py
Language:Python1 0 00
Ye-Buehler/map4
The MinHashed Atom Pair fingerprint of radius 2
Language:CSS0 0 00
Ye-Buehler/mhfp
Molecular MHFP fingerprints for cheminformatics applications
Language:Python0 0 00
Ye-Buehler/RAscore
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Language:Python0 0 00
Ye-Buehler/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
Language:Python0 0 00