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polymer-simulation

Here are 2 public repositories matching this topic...

RadonPy / RadonPy

RadonPy is a Python library to automate physical property calculations for polymer informatics.

data-science polymer simulation modeling molecular-dynamics molecular-dynamics-simulation lammps rdkit materials-science materials-informatics data-driven-design polymer-simulation high-throughput-computing psi4 polymer-informatics

Updated Feb 3, 2025
Python

rangsimanketkaew / topology_violation

Determine the topology violation in coarse-grained polymer simulation.

python polymer molecular-dynamics lammps multiscale-simulation topology-violation polymer-simulation dpd-simulation tv-count

Updated Jan 1, 2022
Python

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