Scymol: A python-based software package for initializing and running molecular dynamics simulations using LAMMPS

Scymol: A python-based software package for initializing and running molecular dynamics simulations using LAMMPS

Scymol is a Python-based software package specifically designed to facilitate the setup and execution of molecular simulations in LAMMPS. It comes equipped with a user-friendly interface, which simplifies the process of initializing molecular systems and defining simulation parameters. Moreover, the...

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Bibliographic Details
Main Authors: Eli I. Assaf, Elsa Maalouf, Xueyan Liu, Peng Lin, Sandra Erkens
Format: Article
Language:English
Published: Elsevier 2025-02-01
Series:SoftwareX
Subjects:
Molecular Dynamics Simulations
Computational Chemistry
LAMMPS
Graphical User Interface
High throughput
Software package
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711025000111
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http://www.sciencedirect.com/science/article/pii/S2352711025000111

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