Alternatives and similar repositories for torch_nl:

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

• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆52Updated this week
• mariogeiger / nequip-jax
  ☆23Updated last year
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆44Updated this week
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated last year
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆70Updated last month
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆27Updated 2 weeks ago
• imagdau / aseMolec
  ☆25Updated 11 months ago
• PASSIONLab / OpenEquivariance
  OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
  ☆49Updated this week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 8 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆36Updated last week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆44Updated 7 months ago
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆16Updated 2 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated this week
• atomicarchitects / phonax
  ☆21Updated last year
• mariogeiger / allegro-jax
  ☆21Updated last year
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆18Updated 5 months ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated last year
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆35Updated 3 weeks ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆56Updated last week
• mir-group / pair_allegro
  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
  ☆40Updated 5 months ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆75Updated 2 years ago
• mir-group / pair_nequip
  ☆44Updated 10 months ago
• BingqingCheng / cace
  ☆71Updated last week
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆19Updated 6 months ago
• nickjbrowning / cuda_mace
  CUDA implementations of MACE models
  ☆14Updated 2 months ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆31Updated 2 months ago
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆77Updated this week
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆48Updated last month
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 5 months ago