NanoDescriptors is a Python library for automated descriptor generation, data preprocessing, and AutoML for nanomaterial property prediction (QSAR/QSPR). Main features Parses complex formulas (core‑shell @, composites -//, non‑stoichiometric, 19 material types)
Calculates >100 descriptors (electronic, thermodynamic, atomic‑mechanical, additive mixture descriptors)
Automatic data cleaning, encoding, skew correction, scaling
AutoML regression/classification with Optuna + SHAP/PLS/RFE feature selection + stacking ensembles
1 maintainer
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Release files for nanodesclib 0.0.10
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| nanodesclib-0.0.10.tar.gz | 151.5 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| nanodesclib-0.0.10-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 311.3 kB
Release files / nanodesclib-0.0.10.tar.gz
| Download URL | nanodesclib-0.0.10.tar.gz |
|---|---|
| Size | 151.5 kB |
| Tags | Source |
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Release files / nanodesclib-0.0.10-py3-none-any.whl
| Download URL | nanodesclib-0.0.10-py3-none-any.whl |
|---|---|
| Size | 159.7 kB |
| Tags | Python 3 |
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