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
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆93Updated last week
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆36Updated last year
• mariogeiger / nequip-jax
  ☆23Updated 2 years ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆76Updated last week
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆73Updated this week
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆83Updated last week
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆23Updated last week
• microsoft / oneqmc
  Pretrained model for molecular wavefunctions
  ☆55Updated 3 weeks ago
• whitead / symd
  N-Dimensional MD engine with symmetry group constraints written in C
  ☆49Updated last year
• mariogeiger / allegro-jax
  ☆22Updated 9 months ago
• felixmusil / torch_nl
  ☆19Updated 2 years ago
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆93Updated 2 weeks ago
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆43Updated 4 months ago
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆127Updated this week
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆26Updated last year
• spozdn / pet
  Point Edge Transformer
  ☆33Updated 4 months ago
• openmm / NNPOps
  High-performance operations for neural network potentials
  ☆102Updated last week
• cagrikymk / JAX-ReaxFF
  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
  ☆74Updated last year
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆91Updated last month
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 9 months ago
• sail-sg / jrystal
  A JAX-based Differentiable Density Functional Theory Framework for Materials
  ☆43Updated last week
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆31Updated 3 years ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆46Updated 2 years ago
• 20171130 / Equivariant-NN-Zoo
  A library for building equivariant neural networks and a zoo of implementations & examples.
  ☆31Updated 3 years ago
• SparkyTruck / deepmd-jax
  A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.
  ☆34Updated 3 weeks ago
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆110Updated 10 months ago
• zincware / ZnDraw
  Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
  ☆49Updated last week
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆83Updated 2 years ago