Alternatives and similar repositories for e3x

Users that are interested in e3x are comparing it to the libraries listed below

• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆37Updated 5 months ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆212Updated 7 months ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆75Updated 4 months ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆42Updated 2 years ago
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆124Updated 2 months ago
• mariogeiger / allegro-jax
  ☆22Updated 3 months ago
• mdsunivie / deeperwin
  DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…
  ☆59Updated 4 months ago
• mariogeiger / nequip-jax
  ☆23Updated last year
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆37Updated last week
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆83Updated last week
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆74Updated 4 years ago
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆21Updated 5 months ago
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated last year
• felixmusil / torch_nl
  ☆18Updated 2 years ago
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆64Updated 9 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆35Updated 2 years ago
• thorben-frank / euclidean_fast_attention
  Implementation of the Euclidean fast attention (EFA) algorithm
  ☆54Updated this week
• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆30Updated last year
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆50Updated 2 years ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆80Updated this week
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆33Updated last year
• rubber-duck-debug / cuda-mace
  CUDA implementations of MACE models
  ☆15Updated last week
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆112Updated 10 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆59Updated this week
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆24Updated 6 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆31Updated 2 years ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆50Updated 5 months ago
• noegroup / rigid-flows
  ☆11Updated last year