Equivariant Flow Matching for Electron Density Prediction

arXiv:2610.02651 · physics.chem-ph, cs.AI · Submitted 2026-10-02 · Read on arXiv

physics.chem-ph, cs.AI

Submitted: 2026-10-02

Updated: 2026-10-02

Code: https://github.com/divelab/AIRS

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Flow Matching — 1× in this paper · explained in 10 episodes

Sources

• e3nn: Euclidean Neural Networks
• Adam: A Method for Stochastic Optimization
• EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers
• Sequence Level Training with Recurrent Neural Networks

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