Published March 13, 2026
| Version v1
Dataset
Open
Supplementary data for: "Quantum-corrected NMR crystallography at scale"
Authors/Creators
-
1.
École Polytechnique Fédérale de Lausanne
Description
Contains supplementary data for the "Quantum-corrected NMR crystallography at scale" manuscript.
Contains the training and evaluation data of PET-MOLS, training scripts and reference structures.
Files
data.zip
Files
(80.9 MB)
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md5:dff3e84a763eda419a3c837f797babc5
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md5:1070299c88152bdc1fb3adb664b458b6
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md5:52d2c415646703c8042856a4fa2528c9
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667 Bytes | Preview Download |
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