About#
MolSysMT is an open-source Python library for working with molecular systems. One uniform API lets you build a system, prepare it, query it, modify it, analyse its structures and visualise it, with native structure preparation and native compute, and interoperability with 89 other forms when your workflow needs it. Below, you can find more details about the project, how to install it, information about its authors, contributors, and how to cite it.