Alternatives and similar repositories for MatDeepLearn_DOS

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

• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆65Updated 2 years ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆23Updated last year
• yuanyue-liu-group / CP-VASP
  ☆50Updated 11 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆36Updated 11 months ago
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆94Updated last week
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆69Updated last week
• ulissigroup / vasp-interactive
  ☆68Updated 2 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 5 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆59Updated 9 months ago
• mogroupumd / aimd
  ☆43Updated 7 years ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆74Updated last year
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆59Updated 2 months ago
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆124Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆106Updated 3 weeks ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• tobacco-mofs / tobacco_3.0
  ☆61Updated 4 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆55Updated last week
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 5 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 6 months ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆93Updated last year
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆40Updated last week
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆36Updated 6 months ago
• VASPsol / VASPsol
  ☆62Updated 5 months ago
• jichunlian / disorder
  A code for generating irreducible site-occupancy configurations
  ☆49Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆30Updated last year
• penghao-xiao / Electrochemical-barrier
  ☆29Updated 3 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆82Updated last month
• gcmt-group / sod
  Site-Occupation Disorder
  ☆44Updated 5 months ago