Polymer Structure Predictor (PSP): A Python Toolkit for Predicting Atomic-Level Structural Models for a Range of Polymer Geometries.
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DOI: 10.1021/acs.jctc.2c00022
Abstract: Three-dimensional atomic-level models of polymers are the starting points for physics-based simulation studies. A capability to generate reasonable initial structural models is highly desired for this purpose. We have developed a python toolkit, namely, polymer… read more here.
Keywords: psp; polymer structure; toolkit; atomic level ... See more keywords