A library for graph deep learning research

Cancer Drug Response Prediction via a Hybrid Graph Convolutional Network

Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019

Hybrid neural network and ensemble learning architecture via multi-source fusion for drug-target binding affinity prediction

Code and data for the Transformer neural network trained to translate between molecular text representations and create molecular embeddings.

Structure encoder for embedding molecule

Open Source Computer Vision Library

WebGL accelerated JavaScript molecular graphics library

A code to generate atomic structure with symmetry