3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery

3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery

7 February 2025

Papers citing "3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery"

15 / 15 papers shown

Title
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design Xiuyuan Hu Guoqing Liu Can Chen Yang Zhao Hao Zhang Xue Liu 73 2 0 26 Mar 2025
Design Editing for Offline Model-based Optimization Ye Yuan Youyuan Zhang Can Chen Haolun Wu Zixuan Li Jianmo Li James J. Clark Xue Liu 81 4 0 22 May 2024
Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction Eric Alcaide Zhifeng Gao Guolin Ke Yaqi Li Linfeng Zhang Hang Zheng G. Zhou 16 6 0 20 May 2024
The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies Alexandre Blanco-Gonzalez Alfonso Cabezon Alejandro Seco-Gonzalez Daniel Conde-Torres Paula Antelo-Riveiro Ángel Piñeiro R. García‐Fandiño 30 261 0 08 Dec 2022
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets Xingang Peng Shitong Luo Jiaqi Guan Qi Xie Jian-wei Peng Jianzhu Ma 44 179 0 15 May 2022
Structure-aware Protein Self-supervised Learning Can Chen Jingbo Zhou Fan Wang Xue Liu Dejing Dou SSL 54 66 0 06 Apr 2022
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Hannes Stärk O. Ganea L. Pattanaik Regina Barzilay Tommi Jaakkola 59 265 0 07 Feb 2022
Motif-based Graph Self-Supervised Learning for Molecular Property Prediction Zaixin Zhang Qi Liu Hao Wang Chengqiang Lu Chee-Kong Lee SSL AI4CE 63 253 0 03 Oct 2021
Geometric Deep Learning on Molecular Representations Kenneth Atz F. Grisoni G. Schneider AI4CE 57 296 0 26 Jul 2021
Guiding Deep Molecular Optimization with Genetic Exploration SungSoo Ahn Junsup Kim Hankook Lee Jinwoo Shin 53 73 0 04 Jul 2020
Language Models are Few-Shot Learners Tom B. Brown Benjamin Mann Nick Ryder Melanie Subbiah Jared Kaplan ... Christopher Berner Sam McCandlish Alec Radford Ilya Sutskever Dario Amodei BDL 450 41,106 0 28 May 2020
Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Prediction P. Schwaller Teodoro Laino John McGuinness A. Horváth Constantine Bekas A. Lee 83 730 0 06 Nov 2018
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding Jacob Devlin Ming-Wei Chang Kenton Lee Kristina Toutanova VLM SSL SSeg 870 93,936 0 11 Oct 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 257 895 0 07 Jun 2018
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 92 1,003 0 25 Apr 2017