Alternatives and similar repositories for MatDeepLearn_DOS

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

• CJBartel / TestStabilityML
  ☆26Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆61Updated 2 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 2 months ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆52Updated last week
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆29Updated last year
• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆37Updated 2 weeks ago
• yuanyue-liu-group / CP-VASP
  ☆44Updated 8 months ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆26Updated last year
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆59Updated 2 years ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆34Updated 8 months ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆29Updated this week
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆22Updated this week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆79Updated this week
• nguyen-group / GNNOpt
  Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
  ☆30Updated 6 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆34Updated 3 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated 4 months ago
• maituoy / BayesianOpt4dftu
  ☆39Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆58Updated 2 weeks ago
• QuantumLab-ZY / HamEPC
  A machine learning workflow for calculating the electron-phonon coupling (EPC)
  ☆29Updated last month
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆27Updated 2 years ago
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated 3 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆32Updated 3 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆94Updated this week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• mogroupumd / aimd
  ☆41Updated 6 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated last year