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 last year
• mariogeiger / nequip-jax
  ☆23Updated last year
• felixmusil / torch_nl
  ☆18Updated 2 years ago
• 20171130 / Equivariant-NN-Zoo
  A library for building equivariant neural networks and a zoo of implementations & examples.
  ☆32Updated 2 years ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated last year
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated this week
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆71Updated last week
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆72Updated this week
• spozdn / pet
  Point Edge Transformer
  ☆26Updated last month
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆24Updated last year
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆36Updated last year
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆28Updated 3 weeks ago
• diffqc / dqc
  Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
  ☆110Updated 3 years ago
• openmm / NNPOps
  High-performance operations for neural network potentials
  ☆93Updated last month
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆17Updated 2 months ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆45Updated 2 weeks ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆75Updated 2 years ago
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆49Updated this week
• whitead / symd
  N-Dimensional MD engine with symmetry group constraints written in C
  ☆47Updated 9 months ago
• mariogeiger / allegro-jax
  ☆21Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆38Updated 2 months ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆29Updated this week
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated 7 months ago
• SparkyTruck / deepmd-jax
  A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.
  ☆28Updated last month
• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆49Updated 3 weeks ago
• profess-dev / profess-ad
  PyTorch-based auto-differentiable orbital-free density functional theory package
  ☆12Updated last year
• semodi / neuralxc
  Implementation of a machine learned density functional
  ☆36Updated 10 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated this week
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆77Updated 5 months ago
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆43Updated this week