Matgenix/turbomoleio Matgenix/turbomoleio

  • Stars
    star
    16
  • Rank 1,286,599 (Top 26 %)
  • Language
    Python
  • License
    GNU General Publi...
  • Created over 3 years ago
  • Updated 3 months ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
Matgenix/turbomoleio
github

Matgenix

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.

More Repositories

1

pysisso

Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
Python
40
star
2

jobflow-remote

jobflow-remote is a Python package to run jobflow workflows on remote resources.
Python
15
star
3

qtoolkit

Python
7
star
4

atomate2-lammps

An add-on package for atomate2 that implements workflows for the LAMMPS molecular dynamics code.
Python
7
star
5

atomate2-addon-template

A template for writing add-on namespace packages for atomate2
Python
1
star