Sandra Erkens

Publication Activity (10 Years)

Years Active: 2024-2024
Publications (10 Years): 2

Top Topics

Computer Systems

Open Source Software

Graphical User Interface

Data Repositories

Top Venues

Publications

Eli I. Assaf, Xueyan Liu, Peng Lin, Sandra Erkens
PDB2DAT: Automating LAMMPS data file generation from PDB molecular systems using Python, Rdkit, and Pysimm. Softw. Impacts 20 (2024)
Eli I. Assaf, Xueyan Liu, Peng Lin, Sandra Erkens
SMI2PDB: A self-contained Python tool to generate atomistic systems of organic molecules using their SMILES notations. Softw. Impacts 20 (2024)