On the Scalability of GNNs for Molecular Graphs

On the Scalability of GNNs for Molecular Graphs

17 April 2024

Maciej Sypetkowski

Frederik Wenkel

Farimah Poursafaei

Dominique Beaini

Papers citing "On the Scalability of GNNs for Molecular Graphs"

10 / 10 papers shown

Title
Efficient Biological Data Acquisition through Inference Set Design Ihor Neporozhnii Julien Roy Emmanuel Bengio Jason Hartford 36 0 0 25 Oct 2024
Sparks of Artificial General Intelligence: Early experiments with GPT-4 Sébastien Bubeck Varun Chandrasekaran Ronen Eldan J. Gehrke Eric Horvitz ... Scott M. Lundberg Harsha Nori Hamid Palangi Marco Tulio Ribeiro Yi Zhang ELM AI4MH AI4CE ALM 197 2,953 0 22 Mar 2023
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso Hannes Stärk Bowen Jing Regina Barzilay Tommi Jaakkola DiffM 130 399 0 04 Oct 2022
Graph Neural Networks with Learnable Structural and Positional Representations Vijay Prakash Dwivedi A. Luu T. Laurent Yoshua Bengio Xavier Bresson GNN 179 304 0 15 Oct 2021
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 106 294 0 07 Oct 2021
Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges M. Bronstein Joan Bruna Taco S. Cohen Petar Velivcković GNN 161 1,095 0 27 Apr 2021
Zero-Shot Text-to-Image Generation Aditya A. Ramesh Mikhail Pavlov Gabriel Goh Scott Gray Chelsea Voss Alec Radford Mark Chen Ilya Sutskever VLM 253 4,735 0 24 Feb 2021
Few-Shot Graph Learning for Molecular Property Prediction Zhichun Guo Chuxu Zhang W. Yu John E. Herr Olaf Wiest Meng-Long Jiang Nitesh V. Chawla AI4CE 102 130 0 16 Feb 2021
Scaling Laws for Neural Language Models Jared Kaplan Sam McCandlish T. Henighan Tom B. Brown B. Chess R. Child Scott Gray Alec Radford Jeff Wu Dario Amodei 220 3,054 0 23 Jan 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 152 1,748 0 02 Mar 2017