DUDE-Z Dataset
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资源简介：
DUDE-Z dataset molecules represented as molecular surfaces (solvent-excluded surface meshes as NumPy files) and PDB files containing 3D conformations. These files have been provided to reproduce the comparative benchmarks described in the paper: "Graph Laplacian Spectral Descriptors for Alignment-Free Molecular Shape and Electrostatic Comparison" This includes reproducing the similarity searching results for GE-MolSG, GM-MolSG, MolSG, ElectroShape, ElectroShape5D, Roshambo and ESP-Sim methods.
创建时间：
2026-06-09
