Prefix-Tree Decoding for Predicting Mass Spectra from Molecules

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Prefix-Tree Decoding for Predicting Mass Spectra from Molecules

11 March 2023

Connor W. Coley

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

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Title
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 Chawla Olaf Wiest Wei Wei 174 2 0 14 Feb 2025
Conditional Set Generation with Transformers Adam R. Kosiorek Hyunjik Kim Danilo Jimenez Rezende 80 41 0 26 Jun 2020
Object-Centric Learning with Slot Attention Francesco Locatello Dirk Weissenborn Thomas Unterthiner Aravindh Mahendran G. Heigold Jakob Uszkoreit Alexey Dosovitskiy Thomas Kipf OCL 225 856 0 26 Jun 2020
Fourier Features Let Networks Learn High Frequency Functions in Low Dimensional Domains Matthew Tancik Pratul P. Srinivasan B. Mildenhall Sara Fridovich-Keil N. Raghavan Utkarsh Singhal R. Ramamoorthi Jonathan T. Barron Ren Ng 124 2,421 0 18 Jun 2020
Optuna: A Next-generation Hyperparameter Optimization Framework Takuya Akiba Shotaro Sano Toshihiko Yanase Takeru Ohta Masanori Koyama 663 5,808 0 25 Jul 2019
Deep Set Prediction Networks Yan Zhang Jonathon S. Hare Adam Prugel-Bennett 122 111 0 15 Jun 2019
Rapid Prediction of Electron-Ionization Mass Spectrometry using Neural Networks Jennifer N. Wei David Belanger Ryan P. Adams D. Sculley 41 142 0 21 Nov 2018
Tune: A Research Platform for Distributed Model Selection and Training Richard Liaw Eric Liang Robert Nishihara Philipp Moritz Joseph E. Gonzalez Ion Stoica 209 903 0 13 Jul 2018
Relational inductive biases, deep learning, and graph networks Peter W. Battaglia Jessica B. Hamrick V. Bapst Alvaro Sanchez-Gonzalez V. Zambaldi ... Pushmeet Kohli M. Botvinick Oriol Vinyals Yujia Li Razvan Pascanu AI4CE NAI 761 3,129 0 04 Jun 2018
Deep Sets Manzil Zaheer Satwik Kottur Siamak Ravanbakhsh Barnabás Póczós Ruslan Salakhutdinov Alex Smola 415 2,473 0 10 Mar 2017
Gated Graph Sequence Neural Networks Yujia Li Daniel Tarlow Marc Brockschmidt R. Zemel GNN 347 3,285 0 17 Nov 2015

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