Alternatives and similar repositories for GElib:

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

• mariogeiger / nequip-jax
  ☆23Updated last year
• lab-cosmo / sparse_accumulation
  ☆12Updated last year
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆36Updated last year
• mariogeiger / allegro-jax
  ☆21Updated 11 months ago
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆45Updated this week
• nickjbrowning / cuda_mace
  CUDA implementations of MACE models
  ☆14Updated 2 months ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated last year
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated last year
• tummfm / jax-dimenet
  Jax / Haiku implementation of DimeNet++.
  ☆18Updated 2 years ago
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆18Updated last week
• felixmusil / torch_nl
  ☆17Updated 2 years ago
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆27Updated 5 months ago
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆18Updated 2 years ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated 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…
  ☆54Updated 3 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆30Updated last year
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆49Updated 3 weeks ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆19Updated 6 months ago
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆44Updated 2 weeks ago
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 2 years ago
• mir-group / pair_nequip
  ☆45Updated 9 months ago
• atomicarchitects / phonax
  ☆21Updated last year
• e3nn / e3nn-tutorial-mrs-fall-2021
  e3nn tutorial for Materials Research Society Fall Meeting 2021
  ☆13Updated 3 years ago
• ASK-Berkeley / StABlE-Training
  [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
  ☆13Updated last month
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆18Updated last month
• 20171130 / Equivariant-NN-Zoo
  A library for building equivariant neural networks and a zoo of implementations & examples.
  ☆32Updated 2 years ago
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆103Updated 4 months ago
• AIforGreatGood / charge3net
  Higher-order equivariant neural networks for charge density prediction in materials
  ☆52Updated last month
• bkoz37 / labutil
  Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling
  ☆15Updated 3 years ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated last month