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Machine 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)

Unified pre-trained model for general physics simulation via lifted geometric pre-training, augmenting static geometry with synthetic dynamics to enable dynamics-aware self-supervision without physics labels; improves industrial-fidelity benchmarks spanning fluid mechanics and solid mechanics while reducing labeled data requirements by 20–60% (Physics-Scaling, 224+ stars)

Differentiable tokamak core transport simulator for fusion energy research, coupling PDE solvers with JAX auto-differentiation and neural-network surrogates for fast forward modelling, pulse-design, and trajectory optimization (Google DeepMind, Apache 2.0)

Open-source JAX-based software suite for variational optimization of deep-learning molecular wave functions, solving electronic ground and excited states via neural-network trial wave functions with configurable FermiNet, PauliNet, Psiformer, LapNet, and DeepErwin ansätze, geometric transferability across molecular configurations, and effective core potential support (FU Berlin / Noé group, J. Chem. Phys. 2023, 420+ stars, MIT License)

Cross-domain foundation model for continuum dynamics trained on 19 physical scenarios spanning 63 variables, featuring adaptive compute via stride modulation and patch jittering for long-run stability (Polymathic AI, 293+ stars, MIT License)

DeepMind's neural network for ab-initio quantum chemistry, directly solving the many-electron Schrödinger equation via variational Monte Carlo with antisymmetric wavefunctions, extended to excited states (Phys. Rev. Research 2020, Science 2024)

Scaling efficient, expressive, and general SE(3)-equivariant graph attention transformers for atomic systems and machine-learned interatomic potentials (MIT License, 2026)

Improved equivariant Transformer for 3D atomic graphs (ICLR2024)

Equivariant graph attention Transformer (ICLR2023)

Transformer architecture for high-energy physics that treats particle jets as unordered sets of constituent particles, using pairwise particle-particle attention to capture interparticle interactions; achieves state-of-the-art jet tagging on the large-scale JetClass benchmark and is widely adopted in LHC flavor-tagging pipelines (Meta FAIR & Penn State, 135+ stars, MIT License, 2023-2024)