Alternatives and similar repositories for maise:

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

• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 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"
  ☆28Updated last year
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆32Updated last year
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆45Updated this week
• usnistgov / tb3py
  TB3Py: Two- and three-body tight-binding calculations for materials
  ☆16Updated 5 months ago
• 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
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆35Updated 3 weeks ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 9 months ago
• MDIL-SNU / AMP2
  ☆20Updated last year
• InWonYeu / interphon
  Interfacial Phonon code
  ☆26Updated 2 years ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆22Updated 2 years ago
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated last year
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆26Updated 2 months ago
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆27Updated 11 months ago
• rjacobs914 / VASP-Tools
  A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…
  ☆15Updated 7 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 4 years ago
• qzhu2017 / RDF
  A code to compute the radial distribution function
  ☆20Updated 6 years ago
• i-pi / tutorials-schools
  ☆16Updated 3 years ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆18Updated 5 months ago
• SMTG-Bham / galore
  Gaussian and Lorentzian smearing of simulated spectra
  ☆38Updated 5 months ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆23Updated 4 years ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆13Updated 8 months ago
• Linux-cpp-lisp / sitator
  Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
  ☆13Updated 4 years ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆30Updated last year
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• lab-cosmo / SA-GPR
  ☆21Updated 5 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆25Updated last year
• potfit / potfit
  potfit force-matching code
  ☆34Updated last year
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated 2 weeks ago