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MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive
  Models

MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models

20 June 2023
Michael R. Maser
Natasa Tagasovska
Jae Hyeon Lee
Andrew Watkins
ArXivPDFHTML

Papers citing "MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models"

2 / 2 papers shown
Title
Geometric Latent Diffusion Models for 3D Molecule Generation
Geometric Latent Diffusion Models for 3D Molecule Generation
Minkai Xu
Alexander Powers
R. Dror
Stefano Ermon
J. Leskovec
DiffM
AI4CE
45
131
0
02 May 2023
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic
  Graphs
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Yi-Lun Liao
Tess E. Smidt
73
142
0
23 Jun 2022
1