Skip to main content

Ctrl+K

mlproject

Essential Links & Terms

Target Properties

Results

Target data extraction

Vibrational and thermodynamic properties
Anharmonic properties
- Lattice thermal conductivity
Elasticity
- Query elasticity data from Materials Project

ML Scripts

Feature selector
- ARFS Top Descriptors
- ARFS convergence tests
Correlation analysis
- Distance correlation
- Dependency graphs
Model Training
Model Explainer
- PFI + SHAP
Model Comparison
- Corrected resampled t-test to compare model improvement significance

Misc Visualization

Save figures
- Correlation Plots

API reference

mlproject package

About

License

Repository
Open issue

.rst

Correlation analysis

Correlation analysis#

Descriptor sets correlation analysis scripts

Distance correlation
Dependency graphs

previous

ARFS convergence tests

next

Distance correlation

By Aakash Naik, Janine George

© Copyright 2025, DigiMatChem.