cole-group/QUBE-SOMD-paper cole-group/QUBE-SOMD-paper

  • Stars
    star
    4
  • Rank 3,304,323 (Top 66 %)
  • Language
    Jupyter Notebook
  • License
    MIT License
  • Created about 4 years ago
  • Updated almost 3 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
cole-group/QUBE-SOMD-paper
github

cole-group

Reviews

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

Repository Details

More Repositories

1

FEgrow

An Open-Source Molecular Builder and Free Energy Preparation Workflow
Jupyter Notebook
113
star
2

QUBEKit-legacy

Development version of QuBeKit force field derivation software
Python
5
star
3

FEP-scripts

Example set up scripts for free energy calculations with SOMD
Jupyter Notebook
3
star
4

Teaching

Jupyter Notebook
2
star
5

FEgrow-data

Jupyter Notebook
1
star
6

coding-retreat2022

Progress from the OpenMM-MACE hackathon
Python
1
star