Understanding active learning of molecular docking and its applications

14 June 2024

Papers citing "Understanding active learning of molecular docking and its applications"

3 / 3 papers shown

Title
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design Miguel García-Ortegón G. Simm Austin Tripp José Miguel Hernández-Lobato A. Bender S. Bacallado 30 73 0 29 Oct 2021
Accelerating high-throughput virtual screening through molecular pool-based active learning David E. Graff E. Shakhnovich Connor W. Coley 76 139 0 13 Dec 2020
Deep Graph Library: A Graph-Centric, Highly-Performant Package for Graph Neural Networks Minjie Wang Da Zheng Zihao Ye Quan Gan Mufei Li ... J. Zhao Haotong Zhang Alex Smola Jinyang Li Zheng-Wei Zhang AI4CE GNN 182 731 0 03 Sep 2019