Pinned Repositories
AHO
This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".
ChemSelML
A trivial demo of chemical regioselectivity prediction via machine learning
HAT-ReactivityPredictor
Demo of reactivity prediction of hydrogen atom transfer (HAT) reaction via machine learning
PySCF_Tutorial
SPMS
A Molecular Stereostructure Descriptor based on Spherical Projection
kulaomega's Repositories
kulaomega/AHO
This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".
kulaomega/ChemSelML
A trivial demo of chemical regioselectivity prediction via machine learning
kulaomega/HAT-ReactivityPredictor
Demo of reactivity prediction of hydrogen atom transfer (HAT) reaction via machine learning
kulaomega/PySCF_Tutorial
kulaomega/SPMS
A Molecular Stereostructure Descriptor based on Spherical Projection