Supporting data for PS-sTDA-xTB: reference DFT data, optimization results, and HTVS output
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资源简介：
Supporting datasets for the PS-sTDA-xTB pipeline (data-driven recalibration of sTDA-xTB parameters for excited-state screening). Code: https://github.com/ivsoan/PS-sTDA-xTB
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Zenodo创建时间：
2026-08-02
