Ligand Dataset for "Ligand Design Rules for Quasi-2D Perovskites from Large-Scale Molecular Dynamics Screening"
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资源简介：
Ligand dataset for MD simulation. Classified in 3 categories (4mer, dimer, and monomer). The direction of using the ligand geometry and classical MD Force Field data (abc_optimized.xyz and abc_optimized.db) was included in the github page savoie_github_repo.
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Zenodo创建时间：
2026-03-16
