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
  ☆68Updated 2 years 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
• atztogo / phonondb
  URL links to phonondb data
  ☆32Updated last year
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆39Updated 6 months ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆55Updated last week
• 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
• 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…
  ☆20Updated 10 months ago
• yuanyue-liu-group / CP-VASP
  ☆50Updated 11 months ago
• CJBartel / TestStabilityML
  ☆26Updated last year
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆37Updated 9 years ago
• SUNCAT-Center / AtomicStructureGenerator
  This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.
  ☆19Updated 6 years ago
• mogroupumd / aimd
  ☆43Updated 7 years ago
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆23Updated 6 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• VASPsol / VASPsol
  ☆62Updated 5 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆39Updated last year
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 5 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated 2 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 6 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…
  ☆16Updated 7 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆59Updated 9 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆64Updated 2 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆59Updated 2 months ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆44Updated last week
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆22Updated 7 years ago