Quotient-space diffusion models generate correct symmetric distributions by removing redundancy on the quotient space, simplifying learning and improving results on small molecules and proteins under SE(3) symmetry.
arXiv preprint arXiv:2203.04810 , year=
4 Pith papers cite this work. Polarity classification is still indexing.
4
Pith papers citing it
citation-role summary
background 2
citation-polarity summary
roles
background 2polarities
background 2representative citing papers
MatterSim delivers a single deep learning force field that simulates inorganic materials across elements, 0-5000 K, and up to 1000 GPa with near first-principles accuracy for lattice dynamics, mechanics, and Gibbs free energies.
A systematic survey and benchmark of four deep learning paradigms for molecular property prediction that organizes the field, critiques current data practices, and outlines three future directions.
Hyformer jointly models molecule generation and property prediction via alternating attention and joint pre-training, showing synergistic gains in conditional sampling, OOD prediction, and a drug design case for antimicrobial peptides.
citing papers explorer
-
Quotient-Space Diffusion Models
Quotient-space diffusion models generate correct symmetric distributions by removing redundancy on the quotient space, simplifying learning and improving results on small molecules and proteins under SE(3) symmetry.
-
MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
MatterSim delivers a single deep learning force field that simulates inorganic materials across elements, 0-5000 K, and up to 1000 GPa with near first-principles accuracy for lattice dynamics, mechanics, and Gibbs free energies.
-
A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era
A systematic survey and benchmark of four deep learning paradigms for molecular property prediction that organizes the field, critiques current data practices, and outlines three future directions.
-
Synergistic Benefits of Joint Molecule Generation and Property Prediction
Hyformer jointly models molecule generation and property prediction via alternating attention and joint pre-training, showing synergistic gains in conditional sampling, OOD prediction, and a drug design case for antimicrobial peptides.