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Tag: Polymer property prediction


GROMACS is one of the most popular software packages used to perform molecular dynamics simulations. It is designed for biochemical molecules like proteins, lipids and nucleic acids, but due to its increased speed of calculation it is frequently used to model non-biological systems like polymers. It supports parallel job runs and also CUDA-based GPU acceleration. […]


The MEDEA software package from Materials Design used for material property prediction using simulations based on quantum mechanics, statistical thermodynamics, classical mechanics and electrodynamics as well as correlation methods involving empirical data. License: Commercial License OS: Linux and Windows Rate It:   Is there a data analysis software you know, but you didn’t find it on […]

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