Alternatives and similar repositories for sphericart

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

• lab-cosmo / sparse_accumulation
  ☆12Updated 2 years ago
• mariogeiger / nequip-jax
  ☆23Updated 2 years ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆36Updated last year
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆80Updated last week
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆90Updated this week
• 20171130 / Equivariant-NN-Zoo
  A library for building equivariant neural networks and a zoo of implementations & examples.
  ☆32Updated 3 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆46Updated 2 years ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆74Updated last week
• mariogeiger / allegro-jax
  ☆22Updated 7 months ago
• openmm / NNPOps
  High-performance operations for neural network potentials
  ☆93Updated last week
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆99Updated last month
• microsoft / oneqmc
  Pretrained model for molecular wavefunctions
  ☆49Updated 4 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆68Updated last month
• spozdn / pet
  Point Edge Transformer
  ☆32Updated 2 months ago
• felixmusil / torch_nl
  ☆19Updated 2 years ago
• whitead / symd
  N-Dimensional MD engine with symmetry group constraints written in C
  ☆50Updated last year
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆19Updated 2 weeks ago
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆43Updated 2 months ago
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆76Updated 4 years ago
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆109Updated 8 months ago
• ASK-Berkeley / StABlE-Training
  [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
  ☆14Updated 3 weeks ago
• sail-sg / jrystal
  A JAX-based Differentiable Density Functional Theory Framework for Materials
  ☆41Updated last week
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 7 months ago
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆88Updated last year
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆89Updated last week
• diffqc / dqc
  Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
  ☆120Updated 3 years ago
• tjz21 / DFT_PIB_Code
  Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
  ☆78Updated last month
• risi-kondor / GElib
  C++/CUDA library for SO(3) equivariant operations
  ☆25Updated last month
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆57Updated 4 months ago