Alternatives and similar repositories for graph2mat

Users that are interested in graph2mat are comparing it to the libraries listed below

• atomicarchitects / phonax
  ☆21Updated last year
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆68Updated 4 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆43Updated last month
• ChengUCB / les
  ☆27Updated 2 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://arxiv.org/abs/2509.…
  ☆77Updated last week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆48Updated last year
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆50Updated last month
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆96Updated 2 weeks ago
• lanl / ALF
  A framework for performing active learning for training machine-learned interatomic potentials.
  ☆39Updated last month
• imagdau / aseMolec
  ☆30Updated last month
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated 2 weeks ago
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆20Updated last month
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆63Updated last week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆59Updated 2 months ago
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆23Updated last year
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆20Updated 10 months ago
• jla-gardner / augment-atoms
  dataset augmentation for atomistic machine learning
  ☆20Updated 4 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆79Updated 3 years ago
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆47Updated 2 weeks ago
• BingqingCheng / cace
  ☆104Updated this week
• metatensor / metatrain
  Train, fine-tune, and manipulate machine learning models for atomistic systems
  ☆45Updated this week
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆48Updated last month
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated 6 months ago
• pfnet-research / torch-dftd
  pytorch implementation of dftd2 & dftd3 (not actively maintained)
  ☆84Updated 11 months ago
• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆62Updated this week
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆60Updated 2 weeks ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆74Updated this week
• lab-cosmo / SA-GPR
  ☆21Updated 6 years ago
• sirmarcel / cmlkit
  tools for machine learning in condensed matter physics and quantum chemistry
  ☆33Updated 3 years ago