Alternatives and similar repositories for OpenEquivariance

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

• mariogeiger / nequip-jax
  ☆23Updated last year
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated last month
• felixmusil / torch_nl
  ☆18Updated 2 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆39Updated last year
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated 8 months ago
• mariogeiger / allegro-jax
  ☆21Updated 3 weeks ago
• risi-kondor / GElib
  C++/CUDA library for SO(3) equivariant operations
  ☆23Updated this week
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆30Updated 2 months ago
• tummfm / jax-dimenet
  Jax / Haiku implementation of DimeNet++.
  ☆18Updated 3 years ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated last year
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆18Updated 2 months ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆71Updated last week
• AIforGreatGood / charge3net
  Higher-order equivariant neural networks for charge density prediction in materials
  ☆57Updated 3 months ago
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆50Updated 2 months ago
• lab-cosmo / sparse_accumulation
  ☆12Updated last year
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆49Updated this week
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆74Updated 3 years ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated 3 weeks ago
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆119Updated 3 weeks ago
• 20171130 / Equivariant-NN-Zoo
  A library for building equivariant neural networks and a zoo of implementations & examples.
  ☆32Updated 2 years ago
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆17Updated 3 months ago
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated last month
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆107Updated last month
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆77Updated 2 years ago
• nickjbrowning / cuda_mace
  CUDA implementations of MACE models
  ☆15Updated 4 months ago
• balintmate / neural-thermodynamic-integration
  ☆11Updated 3 months ago
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆27Updated 2 weeks ago
• sail-sg / jax_xc
  Exchange correlation functionals translated from libxc to jax
  ☆45Updated 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…
  ☆55Updated last month
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated last year