Alternatives and similar repositories for allegro-jax:

Users that are interested in allegro-jax are comparing it to the libraries listed below

• mariogeiger / nequip-jax
  ☆23Updated last year
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• ChengUCB / les
  ☆13Updated this week
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated last week
• nickjbrowning / cuda_mace
  CUDA implementations of MACE models
  ☆14Updated 3 months ago
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆31Updated last year
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆28Updated last month
• tummfm / jax-dimenet
  Jax / Haiku implementation of DimeNet++.
  ☆18Updated 3 years ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated 7 months ago
• felixmusil / torch_nl
  ☆18Updated 2 years ago
• davkovacs / BOTNet-datasets
  This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
  ☆18Updated 2 years ago
• atomicarchitects / phonax
  ☆21Updated last year
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 6 months ago
• ceriottm / aml-intro
  Introductory lectures in atomistic machine learning
  ☆13Updated 3 weeks ago
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆24Updated last year
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated last week
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated this week
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆25Updated 2 months ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆36Updated last year
• fonsecag / FFAST
  ☆11Updated last month
• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆17Updated 2 months ago
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆20Updated 6 months ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆15Updated 5 months ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆33Updated 4 months ago
• RokasEl / simgen
  Zero Shot Molecular Generation via Similarity Kernels
  ☆19Updated last week
• mir-group / allegro-pol
  ☆19Updated 3 weeks ago
• ASK-Berkeley / StABlE-Training
  [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
  ☆13Updated 2 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 9 months ago
• metatensor / metatomic
  Atomistic machine learning models you can use everywhere for everything
  ☆15Updated this week
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆21Updated 2 months ago