Alternatives and similar repositories for jax-pme:

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

• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆35Updated 2 weeks ago
• mariogeiger / nequip-jax
  ☆23Updated last year
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆20Updated 11 months ago
• metatensor / featomic
  Computing representations for atomistic machine learning
  ☆67Updated last month
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆49Updated 2 weeks ago
• felixmusil / torch_nl
  ☆17Updated 2 years ago
• mariogeiger / allegro-jax
  ☆21Updated 11 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
  ☆27Updated 5 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated this week
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆73Updated last month
• lab-cosmo / pet-mad
  A repository to hold installation recipes and data files for the PET-MAD universal machine-learning interatomic potential
  ☆36Updated this week
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆43Updated 3 months ago
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆23Updated last month
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 2 years ago
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated last month
• openkim / libdescriptor
  Auto-differentiated descriptors using Enzyme
  ☆12Updated last week
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆28Updated 3 years ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆31Updated last month
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆46Updated this week
• atomicarchitects / phonax
  ☆21Updated last year
• shivupa / QMMM_study_group
  QM/MM Study Group
  ☆14Updated 6 years ago
• atomistic-ml / ani-1xnr
  Machine learning interatomic potential for condensed-phase reactive chemistry
  ☆19Updated 9 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆34Updated last week
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆31Updated last week
• thomasple / FeNNol
  Force-field-enhanced Neural Networks optimized library
  ☆28Updated 3 weeks ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆14Updated 3 months ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆27Updated this week
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆18Updated this week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 7 months ago