DingQK's starred repositories
chembl_webresource_client
Official Python client for accessing ChEMBL API
stellargraph
StellarGraph - Machine Learning on Graphs
benchmarking-gnns
Repository for benchmarking graph neural networks
hgraph2graph
Hierarchical Generation of Molecular Graphs using Structural Motifs
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics