"PyL3dMD: Python LAMMPS 3D molecular descriptors package."

Pawan Panwar, Quanpeng Yang, Ashlie Martini (2023)

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DOI: 10.1186/S13321-023-00737-5

access: open

type: Journal Article

metadata version: 2023-08-31

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Pawan Panwar, Quanpeng Yang, Ashlie Martini:
PyL3dMD: Python LAMMPS 3D molecular descriptors package. J. Cheminformatics 15(1): 69 (2023)

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