pysimm v0.2.3 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:

• pysimm package
  • Subpackages
  • Submodules
  • Module contents