StereoMapper Example Inputs & Outputs
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资源简介：
This Zenodo deposit bundles the input molfiles and a representative StereoMapper run output so others can reproduce the pipeline showcased in the main StereoMapper repository (https://github.com/Digital-Metabolic-Twin-Centre/stereomapper). Contents examples.zip - containing the following: examples/ - curated molfile sets grouped by relationship type: enantiomer_files/ diastereomer_files/ equivalent_files/ protomer_files/ stereo_resolution_files/ all_results.sqlite - SQLite database produced by running StereoMapper on the entire examples/ directory
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Zenodo创建时间：
2026-03-27
