Repositories list

• mkite_docs

  Public
  Documentation and User Guide for mkite

  Jupyter Notebook

  •

  Apache License 2.0

  •1•0•0•0•Updated Sep 10, 2024Sep 10, 2024

• mkite_vasp

  Public
  Plugin to run calculations with VASP using mkite

  Python

  •

  Apache License 2.0

  •0•2•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkite_catalysis

  Public
  Tools for generating surfaces, adsorbed configurations etc for catalysis

  Python

  •

  Apache License 2.0

  •0•0•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkite_conformer

  Public
  Plugin to run conformer generation using mkite and RDKit

  Python

  •

  Apache License 2.0

  •0•0•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkwind

  Public
  Job building, running, and postprocessing tools for the mkite suite

  Python

  •

  Apache License 2.0

  •0•1•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkite_engines

  Public
  Engines and interfaces for mkite

  Python

  •

  Apache License 2.0

  •0•1•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkite_db

  Public
  Database management and tools for mkite

  Python

  •

  Apache License 2.0

  •0•1•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkite_core

  Public
  Core functions for mkite

  Python

  •

  Apache License 2.0

  •1•3•0•0•Updated Sep 5, 2024Sep 5, 2024

• example_project

  Public
  Example of project for mkite that runs conformers

  Shell

  •

  Apache License 2.0

  •0•0•0•0•Updated Sep 5, 2024Sep 5, 2024

• mkite_configs

  Public template
  Template folder for configuration files related to mkite

  Apache License 2.0

  •0•0•0•0•Updated Apr 30, 2023Apr 30, 2023

• .github

  Public
  GitHub files for mkite-group

  Apache License 2.0

  •0•0•0•0•Updated Apr 28, 2023Apr 28, 2023