OpenPD, standing for Open Peptide Dynamics, is a python package for peptide dynamics simulation
Project description
OpenPD: Opened Peptide Dynamics python module
Introduction
OpenPD, standing for Open Peptide Dynamics, is a python package, distributed freely under the terms of MIT License, for peptide dynamics simulation. It was designed to simulate the folding dynamics of protein efficiently with the assistance of Peptide Dynamics Force Field (PDFF), which is a solvent considered, high-level coarse-grained force field focusing on the peptide interaction.
OpenPD is developed and maintained by Zhenyu Wei (zhenyuwei99@gmail.com), from Yunfei Chen's group in Southeast University. As a newly developed program, we always welcome developers to contact us.
The OpenPD distribution includes following files and folders:
| Name | Description |
|---|---|
| README | This file |
| LICENSE | MIT License |
| docs | Documentation |
| openpd | Source code of openpd python module |
| tutorials | Folder contains tutorial notebook |
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