NetKet
github.com/netket/netketMachine learning toolkit for many-body quantum systems, implementing neural quantum states, variational Monte Carlo, and tensor network algorithms to solve ground-state and dynamical problems in condensed matter physics and quantum chemistry (EPFL & collaborators, Nature Physics 2019/2022+, 670+ stars)
Sourced from
- Awesome AI for Science — github.com/netket/netket
- GitHub — github.com/netket/netket
Related resources
Numerical differential equation solving in JAX
Machine learning in Julia
Cross-platform library for differentiable programming of quantum computers with automatic differentiation, enabling hybrid quantum-classical machine learning for quantum chemistry, quantum physics, and NISQ algorithm research (Xanadu, 3k+ stars)
Scaling efficient, expressive, and general SE(3)-equivariant graph attention transformers for atomic systems and machine-learned interatomic potentials (MIT License, 2026)
Deep learning library for Chemistry based on Tensorflow