Alternatives and similar repositories for hea-ml:

Users that are interested in hea-ml are comparing it to the libraries listed below

• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆53Updated 2 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆40Updated 2 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆41Updated last month
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆51Updated 2 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆46Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆51Updated 3 months ago
• vxfung / MatDeepLearn_DOS
  MatDeepLearn for DOS prediction
  ☆22Updated 2 years ago
• CJBartel / TestStabilityML
  ☆27Updated last year
• HidekiMori-CIT / aenet-lammps
  This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural…
  ☆19Updated last year
• sliutheorygroup / UniPero
  ☆10Updated 8 months ago
• ulissigroup / vasp-interactive
  ☆65Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated last year
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated last year
• oekosheri / GB_code
  A grain boundary generation code
  ☆62Updated last year
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆27Updated last year
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆65Updated this week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆89Updated last year
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆55Updated 2 years ago
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
  ☆63Updated 2 weeks ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 5 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆76Updated 2 months ago
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆23Updated last year
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 6 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆59Updated 11 months ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆12Updated 7 months ago
• yuanchaohu / CSDAP
  computer simulation data analysis package
  ☆17Updated 2 years ago
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆27Updated 2 years ago