MDFCL: Multimodal data fusion-based graph contrastive learning framework for molecular property prediction

Graph Attention Networks

Guillem Cucurull, Arantxa Casanova, Adriana Romero et al. · arXiv (Cornell University) · 2017 · 8.3K citations · Full text

Computing, Computer Science, Feature Engineering +16

Targeted Branching for the Maximum Independent Set Problem Using Graph Neural Networks

DROPS (Schloss Dagstuhl – Leibniz Center for Informatics) · 2024 · 5.4K citations · Full text

Computing, Computer Science, Data Mining +14

SchNet – A deep learning architecture for molecules and materials

Kristof T. Schütt, Huziel E. Sauceda, Pieter-Jan Kindermans et al. · The Journal of Chemical Physics · 2018 · 2.2K citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang, Kyle Swanson, Wengong Jin et al. · Journal of Chemical Information and Modeling · 2019 · 1.8K citations · Full text

Pharmacy, Chemistry, Computational Chemistry +16

GraphDTA: predicting drug–target binding affinity with graph neural networks

Thin Nguyen, Thuc Duy Le, Svetha Venkatesh · Bioinformatics · 2020 · 1.1K citations

Pharmacy, Bioinformatics, Pharmacology +17