Alternatives and similar repositories for Tutorials

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

• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆42Updated 3 weeks ago
• ChengUCB / les
  ☆16Updated this week
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆49Updated 2 weeks ago
• imagdau / aseMolec
  ☆25Updated last year
• MPA2suite / autoWTE
  Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
  ☆16Updated 7 months ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆57Updated last month
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆46Updated 8 months ago
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆21Updated 7 months ago
• qiqb-osaka / mace-osaka24
  MACE_Osaka24 models
  ☆14Updated 5 months ago
• atomind-ai / mlip-arena
  Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics
  ☆56Updated last week
• Luthaf / vesin
  Compute neighbor lists for atomistic systems
  ☆53Updated 2 weeks ago
• libAtoms / workflow
  python workflow toolkit
  ☆39Updated 3 months ago
• BingqingCheng / cace
  ☆76Updated 3 weeks ago
• atomicarchitects / phonax
  ☆21Updated last year
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆37Updated last week
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆76Updated last week
• janosh / ffonons
  Phonons from ML force fields
  ☆20Updated last month
• dft-dutoit / XPOT
  Cross-platform Optimizer for ML Interatomic Potentials
  ☆18Updated 6 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆27Updated last month
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆19Updated 8 months ago
• ICAMS / lammps-user-pace
  ☆29Updated 4 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆28Updated last week
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆40Updated last week
• balintmate / neural-thermodynamic-integration
  ☆11Updated 3 months ago
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆81Updated last week
• materialsvirtuallab / matpes
  A foundational potential energy dataset for materials
  ☆35Updated 2 weeks ago
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆76Updated 2 years ago
• mir-group / pair_nequip
  Deprecated - see `pair_nequip_allegro`
  ☆44Updated last month