Alternatives and similar repositories for mace-osaka24

Users that are interested in mace-osaka24 are comparing it to the libraries listed below

• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 7 months ago
• ChengUCB / les
  ☆16Updated this week
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆28Updated last week
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated last week
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆18Updated 6 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆18Updated 10 months ago
• janosh / ffonons
  Phonons from ML force fields
  ☆20Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆42Updated 3 weeks ago
• atomicarchitects / phonax
  ☆21Updated last year
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated 2 weeks ago
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆23Updated 3 months ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆49Updated 2 weeks ago
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆44Updated 5 months ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆15Updated last year
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆27Updated last month
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆37Updated last week
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆21Updated 7 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆39Updated 3 months ago
• sparks-baird / mp-time-split
  Use time-splits for Materials Project entries for generative modeling benchmarking.
  ☆12Updated last year
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆29Updated 6 months ago
• imagdau / aseMolec
  ☆25Updated last year
• SimonEnsemble / PoreMatMod.jl
  a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…
  ☆17Updated 11 months ago
• BIG-MAP / graph2mat
  graph2mat: Graph to matrix conversion
  ☆12Updated this week
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆47Updated this week
• ulissigroup / charge-density-models
  ☆13Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆57Updated last month
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆18Updated 7 months ago
• lab-cosmo / nice
  ☆12Updated last year
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆29Updated 9 months ago