Alternatives and similar repositories for glp

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

• lab-cosmo / jax-pme
  Particle-mesh based calculations of long-range interactions in JAX
  ☆17Updated 3 months ago
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated 2 weeks ago
• mariogeiger / nequip-jax
  ☆23Updated last year
• libAtoms / workflow
  python workflow toolkit
  ☆39Updated 3 months ago
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆26Updated 2 weeks ago
• atomicarchitects / phonax
  ☆21Updated last year
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆42Updated 3 weeks ago
• ChengUCB / les
  ☆16Updated this week
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated last week
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆32Updated this week
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆49Updated this week
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆28Updated last week
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆57Updated 2 weeks ago
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆44Updated 5 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 10 months ago
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆18Updated 6 months ago
• robashaw / basisopt
  Basis set optimization library for quantum chemistry
  ☆35Updated last year
• 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 last month
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆14Updated 5 months ago
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆21Updated 7 months ago
• felixmusil / torch_nl
  ☆18Updated 2 years ago
• openkim / libdescriptor
  Auto-differentiated descriptors using Enzyme
  ☆12Updated last month
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆30Updated 2 months ago
• ACEsuit / ACEhamiltonians.jl
  ☆16Updated 5 months ago
• BlauGroup / HiPRGen
  ☆25Updated 6 months ago
• balintmate / neural-thermodynamic-integration
  ☆11Updated 3 months ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆29Updated 6 months ago
• metatensor / metatomic
  Atomistic machine learning models you can use everywhere for everything
  ☆15Updated this week