About Us
PYGAMD is an open source package aiming to provide a framework to realize tailored molecular dynamics simulations with user-defined functions and force fields. It was created in 2021 and maintained by You-Liang Zhu. It will always be 100% open source software, free for all to use and released under the liberal terms of the GNU v3 license.


The role of the Steering Council is to ensure the scientific significance of PYGAMD and the long-term well-being of the project, both technically and as a community. The PYGAMD Steering Council currently consists of the following members:

✡ Zhongyuan Lu               ✉ luzy@jlu.edu.cn

✡ Zhao-Yan Sun               ✉ zysun@ciac.ac.cn

✡ You-Liang Zhu               ✉ ylzhu@pygamd.com


We are on a mission to support scientific and research communities worldwide by building quality, open-source software. Join us!

✡ You-Liang Zhu                ✉ ylzhu@pygamd.com

✡ Rui Shi                            ✉ rshi@pygamd.com

✡ Xiang-Meng Jia              ✉ xmjia@pygamd.com

✡ Zhuo-Chen Yu                ✉ zcyu@pygamd.com

✡ Xin Pu                             ✉ xpu@pygamd.com

✡ Yan-Zi Shi                       ✉ yzshi@pygamd.com


PYGAMD receives direct funding from the following sources:


Institutional Partners are organizations that support the project by employing people that contribute to PYGMAD as part of their job. Current Institutional Partners include: