Published July 28, 2025
| Version v1
Dataset
Open
Encoding molecular structures in quantum machine learning
Authors/Creators
-
1.
Sci-Tech Daresbury
Description
Dataset for quantum molecular structure encoding (QMSE), divided into three parts:
Runs 1-4: Comparison between fingerprint and QMSE for variational quantum classifier (VQC) of alkane subdataset
Runs 5-9: QMSE for VQC of expanded dataset with alcohols and ethers
Runs 10-11: QMSE for variational quantum regressor (VQR) of alkane subdataset
Files
QMSE_compiled.zip
Files
(100.9 GB)
| Name | Size | Download all |
|---|---|---|
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md5:680960766a8fc37cd5df4d104ec2ce5e
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100.9 GB | Preview Download |