Directional Message Passing on Molecular Graphs via Synthetic
Coordinates

Directional Message Passing on Molecular Graphs via Synthetic Coordinates

8 November 2021

Johannes Klicpera

Chandan Yeshwanth

Stephan Günnemann

Papers citing "Directional Message Passing on Molecular Graphs via Synthetic Coordinates"

5 / 5 papers shown

Title
Learning Equivariant Non-Local Electron Density Functionals Nicholas Gao Eike Eberhard Stephan Günnemann 26 1 0 10 Oct 2024
Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability Zhiqiang Zhong A. Barkova Davide Mottin 14 8 0 16 Feb 2023
Benchmarking Graph Neural Networks Vijay Prakash Dwivedi Chaitanya K. Joshi Anh Tuan Luu T. Laurent Yoshua Bengio Xavier Bresson 181 907 0 02 Mar 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 211 1,329 0 12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 157 1,748 0 02 Mar 2017