Pinned Repositories
MVPool
Hierarchical Multi-View Graph Pooling with Structure Learning (TKDE-2021)
e3_diffusion_for_molecules
hignn
Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
MoCL-DK
Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge
GeoLDM
Geometric Latent Diffusion Models for 3D Molecule Generation
dclm
DataComp for Language Models
dMaSIF
S2GAE
FraSICL