tom832

Pinned Repositories

ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language:Python362 15 14368
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:Python1.7k 37 530576
Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
Language:C++188 11 6240
TS
Thompson Sampling
Language:Jupyter Notebook49 9 17
ChemRxnExtractor
Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)
Language:Python0 0 00
CoLiNN
Language:Python00
IUPAC2Struct
IUPAC2Struct
Language:Python0 0 00
patent-reaction-extraction
Text mining of chemical reactions
Language:Java0 0 00
rcsb_pdb_utilis
Language:Jupyter Notebook0 1 00
TS
Thompson Sampling
Language:Jupyter Notebook00

tom832's Repositories

tom832/ChemRxnExtractor
Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)
Language:Python0 0 00
tom832/CoLiNN
Language:Python00
tom832/IUPAC2Struct
IUPAC2Struct
Language:Python0 0 00
tom832/patent-reaction-extraction
Text mining of chemical reactions
Language:Java0 0 00
tom832/rcsb_pdb_utilis
Language:Jupyter Notebook0 1 00
tom832/TS
Thompson Sampling
Language:Jupyter Notebook00