Xueyan Liu

Affiliations:

According to our database¹, Xueyan Liu authored at least 3 papers in 2024.

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2024

PDB2DAT: Automating LAMMPS data file generation from PDB molecular systems using Python, Rdkit, and Pysimm.

[BibT_eX]

[DOI]

Softw. Impacts, 2024

SMI2PDB: A self-contained Python tool to generate atomistic systems of organic molecules using their SMILES notations.

[BibT_eX]

[DOI]

Softw. Impacts, 2024

AA2UA: Converting all-atom models into their united atom coarse grained counterparts for use in LAMMPS.

[BibT_eX]

[DOI]

Softw. Impacts, 2024