DPA4 is a new SE(3)-equivariant interatomic potential with EMFA SO(2) convolution that sets new accuracy-cost records on Matbench Discovery and SPICE benchmarks using fewer parameters than prior models.
Schütt, Pan Kessel, Michael Gastegger, Kim A
3 Pith papers cite this work. Polarity classification is still indexing.
3
Pith papers citing it
years
2026 3verdicts
UNVERDICTED 3representative citing papers
Proposes generative pseudo-force fields trained on quadratic pseudo-potentials from noisy equilibria as a time-step-agnostic diffusion variant for efficient molecular conformation generation with high validity on QM9.
mlip v2 is a new software release that integrates API redesign, e3j backend, eSEN model, improved charge modeling, and expanded simulation capabilities to support larger-scale molecular modeling.
citing papers explorer
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DPA4: Pushing the Accuracy-Cost Frontier of Interatomic Potentials with EMFA SO(2) Convolution
DPA4 is a new SE(3)-equivariant interatomic potential with EMFA SO(2) convolution that sets new accuracy-cost records on Matbench Discovery and SPICE benchmarks using fewer parameters than prior models.
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Machine Learning Interatomic Potentials: Advancing Open-Source Software for Efficient and Scalable Molecular Simulation
mlip v2 is a new software release that integrates API redesign, e3j backend, eSEN model, improved charge modeling, and expanded simulation capabilities to support larger-scale molecular modeling.