Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?

Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?

4 June 2024

Yingzhou Lu

Papers citing "Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?"

8 / 8 papers shown

Title
3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery Xiuyuan Hu Guoqing Liu Can Chen Yang Zhao Jun Wang Xue Liu 58 2 0 07 Feb 2025
DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning Jiaqing Xie Yue Zhao 60 0 0 02 Oct 2024
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets Xingang Peng Shitong Luo Jiaqi Guan Qi Xie Jian-wei Peng Jianzhu Ma 39 179 0 15 May 2022
Differentiable Scaffolding Tree for Molecular Optimization Tianfan Fu Wenhao Gao Cao Xiao Jacob Yasonik Connor W. Coley Jimeng Sun 55 78 0 22 Sep 2021
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 225 644 0 29 Nov 2018
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 79 1,003 0 25 Apr 2017
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 106 2,911 0 07 Oct 2016
Adversarial Autoencoders Alireza Makhzani Jonathon Shlens Navdeep Jaitly Ian Goodfellow Brendan J. Frey GAN 59 2,224 0 18 Nov 2015