FraGNNet: A Deep Probabilistic Model for Mass Spectrum Prediction

2 April 2024

Papers citing "FraGNNet: A Deep Probabilistic Model for Mass Spectrum Prediction"

4 / 4 papers shown

Title
MassSpecGym: A benchmark for the discovery and identification of molecules Roman Bushuiev Anton Bushuiev Niek F. de Jonge A. Young Fleming Kretschmer ... Justin J. J. van der Hooft Michael A. Stravs Sebastian Böcker Josef Sivic Tomáš Pluskal 41 4 0 17 Feb 2025
Robust Optimization as Data Augmentation for Large-scale Graphs Kezhi Kong G. Li Mucong Ding Zuxuan Wu Chen Zhu Bernard Ghanem Gavin Taylor Tom Goldstein 101 74 0 19 Oct 2020
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 166 1,775 0 02 Mar 2017
Simple and Scalable Predictive Uncertainty Estimation using Deep Ensembles Balaji Lakshminarayanan Alexander Pritzel Charles Blundell UQCV BDL 270 5,660 0 05 Dec 2016