e3nn

github.com/e3nn/e3nn
Idle1.3Kupdated 7 months ago
Python
NOASSERTION

Euclidean neural networks for arbitrary point transformations enabling E(3)-equivariant deep learning, foundational library for building geometry-aware neural networks in molecular dynamics, materials science, and physics

Sourced from

  • Awesome AI for Science — github.com/e3nn/e3nn
  • GitHub — github.com/e3nn/e3nn

Related resources

Graph neural network library for PyTorch enabling molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning (23.7k+ stars)

Active24.1K1 week ago
Python
MIT

Deep Graph Library for scalable deep learning on graphs, powering molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning across PyTorch, TensorFlow, and MXNet backends (14K+ stars)

Idle14.3K1 year ago
Python
Apache-2.0

Probabilistic programming

Active9.8K1 week ago
Python
NOASSERTION

Open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives, enabling quantum algorithm development for quantum chemistry, materials science, and optimization research (IBM, 7.4K+ stars, Apache 2.0)

Active7.8K3 weeks ago
Python
Apache-2.0

Python framework for writing high-performance GPU simulation and graphics kernels with first-class automatic differentiation, enabling differentiable physics, molecular dynamics, soft-body and cloth simulation, robotics, and CFD adjoints compiled to CUDA; serves as the underlying engine for differentiable simulation projects like Newton and integrates with PyTorch, JAX, and OpenUSD (NVIDIA, 7.1K+ stars, Apache 2.0)

Active7.1K3 weeks ago
Python
Apache-2.0

GPU-accelerated differentiable physics simulation engine built on NVIDIA Warp, supporting rigid/soft body, cloth, and gradient-based optimization for scientific ML, initiated by Disney Research, DeepMind, and NVIDIA (Linux Foundation, Apache 2.0, 2025)

Active5.5K1 month ago
Python
Apache-2.0