Alternatives and similar repositories for segnn-jax

Users that are interested in segnn-jax are comparing it to the libraries listed below

• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆39Updated 7 months ago
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆16Updated 4 years ago
• mariogeiger / allegro-jax
  ☆22Updated 5 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆35Updated 2 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆44Updated 2 years ago
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated last year
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆108Updated 6 months ago
• 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
• mariogeiger / nequip-jax
  ☆23Updated last year
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆26Updated 7 months ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆75Updated this week
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.
  ☆44Updated last week
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆20Updated 2 years ago
• ChemAI-Lab / ofdft_nflows
  Nomalizing flows for orbita-free DFT
  ☆11Updated last year
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆34Updated last year
• LarsHoldijk / SOCTransitionPaths
  ☆32Updated 3 years ago
• risi-kondor / GElib
  C++/CUDA library for SO(3) equivariant operations
  ☆25Updated 2 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 5 months ago
• rubber-duck-debug / cuda-mace
  CUDA implementations of MACE models
  ☆15Updated last month
• majhas / self-refining-dft
  ☆25Updated 2 months ago
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• prescient-design / e3tools
  Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0
  ☆16Updated last month
• whitead / symd
  N-Dimensional MD engine with symmetry group constraints written in C
  ☆50Updated last year
• ASK-Berkeley / OM-TPS
  [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…
  ☆18Updated 3 months ago
• wcwitt / symmetrix
  ☆22Updated this week
• google-deepmind / flows_for_atomic_solids
  ☆53Updated 2 years ago
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆21Updated 6 months ago
• gerkone / egnn-jax
  E(n) Equivariant GNN in jax
  ☆14Updated 2 years ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year