JustinYKC
PhD candidate in Cheminformatics, Data science and Drug discovery at the University of Edinburgh
Oxford
Pinned Repositories
MRlogP
Neural network-based logP prediction for druglike molecules
FEPOPS
Python implementation of the FEPOPS molecular descriptors
pybindingcurve
Binding curve simulation and experimental data fitting for multi component protein-ligand systems
pains_filter
Protein_design_pipline
SimilarityLab_plus
SimilarityLab; a website for running molecular similarity and target prediction.
pybindingcurve
Binding curve simulation and experimental data fitting for multi component protein-ligand systems
JustinYKC's Repositories
JustinYKC/FEPOPS
Python implementation of the FEPOPS molecular descriptors
JustinYKC/pains_filter
JustinYKC/Protein_design_pipline
JustinYKC/SimilarityLab_plus
SimilarityLab; a website for running molecular similarity and target prediction.
JustinYKC/MRlogP
Neural network-based logP prediction for druglike molecules
JustinYKC/pybindingcurve
Binding curve simulation and experimental data fitting for multi component protein-ligand systems