dzankov

Pinned Repositories

3D-MIL-QSAR
Multi-instance ML for ligand bioactivity prediction
Language:Python54 4 919
3D-MIL-QSAR
Multi-instance ML for ligand bioactivity prediction
Language:Python6 0 02
3D-MIL-QSSR
Multi-instance ML for catalyst enantioselectivity prediction
Language:Python00
CoLearn
Chemistry-informed machine learning: conjugated QSPR models case
Language:Python3 1 00
GAChem
Genetic algorithms applications for chemoinformatics
Language:Python00
MI-PROP
Multi-instance ML platform for molecular property modeling
Language:Python00
SynPlanner
Computer-aided synthesis planning
Language:Python00
3D-MIL-QSSR
Multi-instance ML for catalyst enantioselectivity prediction
Language:Python1 0 02
SynPlanner
Computer-aided synthesis planning
Language:Jupyter Notebook11 1 13

dzankov's Repositories

dzankov/3D-MIL-QSAR
Multi-instance ML for ligand bioactivity prediction
Language:Python6 0 02
dzankov/CoLearn
Chemistry-informed machine learning: conjugated QSPR models case
Language:Python3 1 00
dzankov/3D-MIL-QSSR
Multi-instance ML for catalyst enantioselectivity prediction
Language:Python00
dzankov/GAChem
Genetic algorithms applications for chemoinformatics
Language:Python00
dzankov/MI-PROP
Multi-instance ML platform for molecular property modeling
Language:Python00
dzankov/SynPlanner
Computer-aided synthesis planning
Language:Python00