Representative Projects
MolOP
Molecule OPerator, a molecule information extraction and operation unit
· Demo
MolGR
Molecule Graph Reconstructor
rdkit-dof
RDKit molecule drawing with Depth of Field (DOF) effects.
qm9star_query
A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.
· Demo
NNdioxide-asymMichael
Machine learning for Chiral N,N’-dioxide in Michael Additions
spectrum_descriptor
spectrum descriptor is a tool to extract and re-encode information from spectral image or spectral curves.