MoleculeCLA: Rethinking Molecular Benchmark via Computational
Ligand-Target Binding Analysis

MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis

13 June 2024

Wei-Ying Ma

Yanyan Lan

Papers citing "MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis"

4 / 4 papers shown

Title
Probing Graph Representations Mohammad Sadegh Akhondzadeh Vijay Lingam Aleksandar Bojchevski 26 10 0 07 Mar 2023
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
Chemical-Reaction-Aware Molecule Representation Learning Hongwei Wang Weijian Li Xiaomeng Jin Kyunghyun Cho Heng Ji Jiawei Han Martin Burke 95 46 0 21 Sep 2021
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