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Attention-Based Learning on Molecular Ensembles

Attention-Based Learning on Molecular Ensembles

25 November 2020
Kangway V Chuang
Michael J. Keiser
ArXiv (abs)PDFHTML

Papers citing "Attention-Based Learning on Molecular Ensembles"

3 / 3 papers shown
Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks
Learning Over Molecular Conformer Ensembles: Datasets and BenchmarksInternational Conference on Learning Representations (ICLR), 2023
Yanqiao Zhu
Jeehyun Hwang
Keir Adams
Zhen Liu
B. Nan
...
Olaf Wiest
Olexandr Isayev
Connor W. Coley
Luke Huan
Wei Wang
253
12
0
29 Sep 2023
A 3D-Shape Similarity-based Contrastive Approach to Molecular
  Representation Learning
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning
Austin O. Atsango
N. Diamant
Ziqing Lu
Tommaso Biancalani
Gabriele Scalia
Kangway V Chuang
260
3
0
03 Nov 2022
Learning 3D Representations of Molecular Chirality with Invariance to
  Bond Rotations
Learning 3D Representations of Molecular Chirality with Invariance to Bond RotationsInternational Conference on Learning Representations (ICLR), 2021
Keir Adams
L. Pattanaik
Connor W. Coley
304
45
0
08 Oct 2021
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