mdshare

The mdshare package provides a python-based downloader for molecular dynamics (MD) data from a public FTP server at FU Berlin.

This website provides an overview which data is available.

License

Unless stated otherwise, the provided data by the Computational Molecular Biology Group, Freie Universität Berlin (GER), is licensed under a Creative Commons Attribution 4.0 International License.

Contents

• Alanine dipeptide
• Pentapeptide
• Alanine dipeptide coarse grained with forces

Downloader installation

conda install mdshare -c conda-forge

or

pip install mdshare

See the github repository for additional information.