  We present an open source Python 3 library aimed at practitioners of
molecular simulation, especially Monte Carlo simulation. The aims of the
library are to facilitate the generation of simulation data for a wide range of
problems; and to support data analysis methods which enable one to make the
most of previously generated data. The library contains a framework for
automating the task of measuring target physical properties (e.g. density) over
a range of thermodynamic parameters (e.g. temperature) calculated using a
molecular simulation program, in particular the Monte Carlo program DL_MONTE.
The library also supports analysis methods including block averaging,
equilibration detection and histogram reweighting. Here we describe the library
and provide examples to demonstrate its key functionality: we use the library
to automatically calculate isotherms to a specified precision; and to calculate
the surface tension and liquid-vapour coexistence properties of methane.

Computational Physics;Materials Science;Soft Condensed Matter;Statistical Mechanics