Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified Model

13 March 2023

Papers citing "Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation with a Unified Model"

4 / 4 papers shown

Title
Top-N: Equivariant set and graph generation without exchangeability Clément Vignac P. Frossard BDL 50 34 0 05 Oct 2021
Chemical-Reaction-Aware Molecule Representation Learning Hongwei Wang Weijian Li Xiaomeng Jin Kyunghyun Cho Heng Ji Jiawei Han Martin Burke 92 46 0 21 Sep 2021
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 119 220 0 09 Dec 2020
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 151 628 0 29 Nov 2018