Mapping the Space of Chemical Reactions Using Attention-Based Neural
Networks

Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks

9 December 2020

Alain C. Vaucher

Papers citing "Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks"

12 / 12 papers shown

Title
GOLLuM: Gaussian Process Optimized LLMs -- Reframing LLM Finetuning through Bayesian Optimization Bojana Ranković P. Schwaller BDL 158 0 0 08 Apr 2025
Smirk: An Atomically Complete Tokenizer for Molecular Foundation Models Alexius Wadell Anoushka Bhutani Venkatasubramanian Viswanathan 118 0 0 19 Sep 2024
A Bayesian Flow Network Framework for Chemistry Tasks Nianze Tao Minori Abe BDL 27 2 0 28 Jul 2024
Transformer-Powered Surrogates Close the ICF Simulation-Experiment Gap with Extremely Limited Data M. Olson Shusen Liu Jayaraman J. Thiagarajan B. Kustowski Weng-Keen Wong Rushil Anirudh AI4CE 26 1 0 06 Dec 2023
Language models in molecular discovery Chaoqi Wang Yibo Jiang Chenghao Yang Han Liu Yuxin Chen 18 7 0 28 Sep 2023
Computational modeling of semantic change Nina Tahmasebi Haim Dubossarsky 26 6 0 13 Apr 2023
Bayesian Optimization of Catalysis With In-Context Learning M. C. Ramos Shane S. Michtavy Marc D. Porosoff Andrew D. White BDL 44 30 0 11 Apr 2023
Recent advances in artificial intelligence for retrosynthesis Zipeng Zhong Jie Song Zunlei Feng Tiantao Liu Lingxiang Jia Shaolun Yao Tingjun Hou Mingli Song 29 5 0 14 Jan 2023
MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction Zhonglin Cao Rishikesh Magar Yuyang Wang A. Farimani AI4CE 23 87 0 25 Oct 2022
Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation Mohammadamin Tavakoli Alexander Shmakov Francesco Ceccarelli Pierre Baldi GNN 23 8 0 02 Jan 2022
Geometric Deep Learning on Molecular Representations Kenneth Atz F. Grisoni G. Schneider AI4CE 30 286 0 26 Jul 2021
OpenNMT: Open-Source Toolkit for Neural Machine Translation Guillaume Klein Yoon Kim Yuntian Deng Jean Senellart Alexander M. Rush 256 1,896 0 10 Jan 2017