mosmo: Molecular Systems Modeling

A python-friendly framework for generalized modeling, analysis, and simulation of systems composed of interacting molecules. The package consists of

• model: classes and structures for representing the components of a system.
• knowledge: a catalog of known system components and their attributes. Described using model classes, and generally cross-referenced to standard online databases.
• calc: algorithms and routines used to manipulate, analyze, and simulate systems built with model classes (whether from the Knowledge Base or not).
• preso: facilitates front-end interaction and visualization, particularly in the context of Jupyter notebooks.