pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. - Mayk C. Ramos; Patrick K. Quoika; Vitor A. C. Horta; Douglas Mota Dias; Elan G. Costa; Jorge Luís Machado do Amaral; Luigi M. Ribeiro; Klaus R. Liedl; Bruno A. C. Horta (J. Chem. Inf. Model., 2021)