MAP-DESIGN/Downloads / SAMPLE/SAMPLE

SAMPLE: Surface Adsorbate Polymorph Prediction with Little Effort

The software package SAMPLE facilitates surface structure search for commensurate organic monolayers on inorganic substrates, by using coarse-grained modeling and machine learning. 

SAMPLE can be downloaded here and installed using pip-install packagename

The AIMSTools package is required as prerequisite and can be downloaded here