Alternatives and similar repositories for GElib

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

• lab-cosmo / sparse_accumulation
  ☆12Updated 2 years ago
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆96Updated 3 weeks ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆45Updated 2 years ago
• mariogeiger / nequip-jax
  ☆23Updated 2 years ago
• mariogeiger / allegro-jax
  ☆22Updated 5 months ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆78Updated last week
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆21Updated 7 months ago
• rubber-duck-debug / cuda-mace
  CUDA implementations of MACE models
  ☆18Updated 2 months ago
• sail-sg / jrystal
  A JAX-based Differentiable Density Functional Theory Framework for Materials
  ☆37Updated this week
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆87Updated 2 weeks ago
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆109Updated 6 months ago
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated 2 years ago
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.
  ☆46Updated this week
• tummfm / jax-dimenet
  Jax / Haiku implementation of DimeNet++.
  ☆18Updated 3 years ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆74Updated 2 weeks ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆35Updated last year
• sail-sg / jax_xc
  Exchange correlation functionals translated from libxc to jax
  ☆46Updated 7 months ago
• felixmusil / torch_nl
  ☆19Updated 2 years ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆61Updated this week
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 6 months ago
• bkoz37 / labutil
  Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling
  ☆15Updated 4 years ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆39Updated 8 months ago
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆39Updated last month
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆20Updated 2 years ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year
• 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…
  ☆63Updated 6 months ago
• lanl / hippynn
  python library for atomistic machine learning
  ☆89Updated last week
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆19Updated this week
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆75Updated 4 years ago
• 20171130 / Equivariant-NN-Zoo
  A library for building equivariant neural networks and a zoo of implementations & examples.
  ☆32Updated 3 years ago