Wigner kernels: body-ordered equivariant machine learning without a basis

7 March 2023

Papers citing "Wigner kernels: body-ordered equivariant machine learning without a basis"

9 / 9 papers shown

Title
Representing spherical tensors with scalar-based machine-learning models Michelangelo Domina Filippo Bigi Paolo Pegolo Michele Ceriotti 43 0 0 08 May 2025
Data Fusion of Deep Learned Molecular Embeddings for Property Prediction Robert Appleton Brian C Barnes Alejandro Strachan FedML AI4CE 32 0 0 09 Apr 2025
HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery Alvaro Prat Hisham Abdel-Aty Gintautas Kamuntavicius Tanya Paquet P. Norvaisas Piero Gasparotto Roy Tal 13 2 0 22 Sep 2023
Smooth, exact rotational symmetrization for deep learning on point clouds Sergey Pozdnyakov Michele Ceriotti 3DPC 30 25 0 30 May 2023
Evaluation of the MACE Force Field Architecture: from Medicinal Chemistry to Materials Science D. P. Kovács Ilyes Batatia E. Arany Gábor Csányi AI4CE 16 81 0 23 May 2023
Tensor-reduced atomic density representations James P. Darby D. P. Kovács Ilyes Batatia M. A. Caro G. Hart Christoph Ortner Gábor Csányi 39 32 0 02 Oct 2022
Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials Viktor Zaverkin Johannes Kastner 29 67 0 15 Sep 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
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 190 1,229 0 08 Jan 2021