Improving Molecular Design by Stochastic Iterative Target Augmentation

11 February 2020

Papers citing "Improving Molecular Design by Stochastic Iterative Target Augmentation"

9 / 9 papers shown

Title
Decoupled Sequence and Structure Generation for Realistic Antibody Design Nayoung Kim Minsu Kim Sungsoo Ahn Jinkyoo Park 47 0 0 20 Jan 2025
Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer Cheng Tan Zhangyang Gao Lirong Wu Jun-Xiong Xia Jiangbin Zheng Xihong Yang Yue Liu Bozhen Hu Stan Z. Li 31 14 0 21 Apr 2023
Conditional Antibody Design as 3D Equivariant Graph Translation Xiangzhe Kong Wenbing Huang Yang Liu DiffM 24 84 0 12 Aug 2022
Multi-Objective Latent Space Optimization of Generative Molecular Design Models Naﬁz Abeer Nathan M. Urban Ryan Weil Francis J. Alexander Byung-Jun Yoon 21 15 0 01 Mar 2022
Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design Wengong Jin Jeremy Wohlwend Regina Barzilay Tommi Jaakkola 11 136 0 09 Oct 2021
Optimizing Molecules using Efficient Queries from Property Evaluations Samuel C. Hoffman Vijil Chenthamarakshan Kahini Wadhawan Pin-Yu Chen Payel Das 31 68 0 03 Nov 2020
Design by adaptive sampling David H. Brookes Jennifer Listgarten TPM 39 65 0 08 Oct 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 203 885 0 07 Jun 2018
Conditional molecular design with deep generative models Seokho Kang Kyunghyun Cho BDL 157 183 0 30 Apr 2018