Molecular Topological Profile (MOLTOP) -- Simple and Strong Baseline for Molecular Graph Classification

16 July 2024

Papers citing "Molecular Topological Profile (MOLTOP) -- Simple and Strong Baseline for Molecular Graph Classification"

6 / 6 papers shown

Title
Strengthening structural baselines for graph classification using Local Topological Profile J. Adamczyk Wojciech Czech 18 3 0 01 May 2023
Relative Molecule Self-Attention Transformer Lukasz Maziarka Dawid Majchrowski Tomasz Danel Piotr Gaiñski Jacek Tabor Igor T. Podolak Pawel M. Morkisz Stanislaw Jastrzebski MedIm 32 33 0 12 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 112 294 0 07 Oct 2021
A Survey on The Expressive Power of Graph Neural Networks Ryoma Sato 159 170 0 09 Mar 2020
Benchmarking Graph Neural Networks Vijay Prakash Dwivedi Chaitanya K. Joshi Anh Tuan Luu T. Laurent Yoshua Bengio Xavier Bresson 178 907 0 02 Mar 2020
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 154 1,748 0 02 Mar 2017