Alternatives and similar repositories for MatterTune:

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

• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated this week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆36Updated last week
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆24Updated last month
• imagdau / aseMolec
  ☆25Updated last year
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆44Updated last week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆56Updated 2 weeks ago
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆77Updated this week
• libAtoms / workflow
  python workflow toolkit
  ☆37Updated last month
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆52Updated this week
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆44Updated 4 months ago
• zincware / rdkit2ase
  ☆10Updated this week
• jcwang587 / cgcnn2
  Reproduction of CGCNN with fine-tuning for predicting material properties
  ☆12Updated this week
• atomicarchitects / phonax
  ☆21Updated last year
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆26Updated this week
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆31Updated 2 months ago
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆17Updated 7 months ago
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 5 months ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆17Updated 5 months ago
• Savoie-Research-Group / yarp
  Object-oriented refactoring of the YARP package
  ☆12Updated this week
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆26Updated last year
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆32Updated last year
• ulissigroup / charge-density-models
  ☆13Updated last year
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 3 years ago
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆23Updated 2 months ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆14Updated 3 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆46Updated last week
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆44Updated 7 months ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆35Updated 3 weeks ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆54Updated 11 months ago