Alternatives and similar repositories for qmpy_rester

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

• ulissigroup / vasp-interactive
  ☆69Updated 2 years ago
• lrcfmd / ICSDClient
  A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…
  ☆19Updated 10 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆25Updated 3 years ago
• CJBartel / TestStabilityML
  ☆26Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• mogroupumd / aimd
  ☆44Updated 7 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆56Updated last week
• yuanyue-liu-group / CP-VASP
  ☆52Updated last year
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• 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
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆29Updated 2 years ago
• CJBartel / predict-gibbs-energies
  ☆21Updated 5 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆40Updated 7 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆60Updated 10 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 8 months ago
• VASPsol / VASPsol
  ☆66Updated 5 months ago
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 5 years ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• ulissigroup / GASpy
  ☆71Updated 4 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 6 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆82Updated 2 weeks ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated 2 years ago
• yuanyue-liu-group / CP-MACE
  ☆31Updated 3 weeks ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆58Updated last month
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆88Updated last week
• jichunlian / disorder
  A code for generating irreducible site-occupancy configurations
  ☆49Updated last year
• 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