Alternatives and similar repositories for curvedataextraction

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

• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆114Updated last week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆67Updated this week
• jan-janssen / LangSim
  Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
  ☆67Updated last month
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆79Updated last week
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆94Updated last month
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆44Updated this week
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆45Updated 2 months ago
• computron / pymatgen_tutorials
  Tutorials for using the pymatgen library
  ☆53Updated 3 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated 2 months ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆65Updated 2 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated 3 weeks ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆72Updated 3 months ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated last year
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated this week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆82Updated last month
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 4 years ago
• antoniuk1 / SynthNN
  ☆18Updated last year
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆44Updated 2 weeks ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆116Updated last week
• CJBartel / predict-gibbs-energies
  ☆21Updated 5 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆123Updated last week
• tobacco-mofs / tobacco_3.0
  ☆60Updated 4 years ago
• snurr-group / gRASPA
  GPU Monte Carlo Simulation Code with a taste of RASPA
  ☆64Updated 3 weeks ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆31Updated 5 months ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆26Updated 3 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆56Updated 3 weeks ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• ppdebreuck / modnet
  MODNet: a framework for machine learning materials properties
  ☆94Updated 4 months ago