pysimm v0.2 Reference Document¶
pysimm is a python package designed to facilitate structure generation, simulation, and modification of molecular systems by providing a collection of simulation tools and smooth integration with highly optimized third party software. Abstraction layers enable a standardized methodology to assign various force field models to molecular systems and perform simple simulations.
To read more, see our publication in SoftwareX.
Click below for pysimm’s full documentation: