https://github.com/jorgemunozl/psiformer_torch

self-attention neural torch ansatz for electronic structure calculations introduced in the paper “A Self-attention Ansatz for ab initio Quantum Chemistry” from Google Deep Mind.

attention-mechanism computational-physics computational-quantum-mechanics google-deepmind kfca mlp natural-gradient quantum-mechanics torch training transformer wandb wave-equation-solver

Last synced: 04 May 2026