Prefix-Tree Decoding for Predicting Mass Spectra from Molecules

11 March 2023

Papers citing "Prefix-Tree Decoding for Predicting Mass Spectra from Molecules"

7 / 7 papers shown

Title
Neural Graph Matching Improves Retrieval Augmented Generation in Molecular Machine Learning Runzhong Wang Rui Wang Mrunali Manjrekar Connor W. Coley 62 0 0 25 Feb 2025
MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra Liang Wang Shaozhen Liu Yu Rong Deli Zhao Qiang Liu Shu Wu Liang Wang MedIm 60 2 0 22 Feb 2025
Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond Kehan Guo Yili Shen Gisela Abigail Gonzalez-Montiel Yue Huang Yujun Zhou ... Zhichun Guo Prayel Das Nitesh V. Chawla Olaf Wiest X. Zhang 70 1 0 14 Feb 2025
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry Marvin Alberts Oliver Schilter F. Zipoli Nina Hartrampf Teodoro Laino 33 5 0 04 Jul 2024
FraGNNet: A Deep Probabilistic Model for Mass Spectrum Prediction A. Young Fei Wang D. Wishart Bo Wang Hannes L. Röst Russell Greiner 24 3 0 02 Apr 2024
MassFormer: Tandem Mass Spectrum Prediction for Small Molecules using Graph Transformers A. Young Bo Wang Hannes L. Röst 11 5 0 08 Nov 2021
Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges M. Bronstein Joan Bruna Taco S. Cohen Petar Velivcković GNN 172 1,100 0 27 Apr 2021