aqme

Quickstart

Installation
Users with no Python experience

Video Tutorials

Video tutorials

How does AQME work?

QCORR (analysis and correction of QM output files)
QDESCP (descriptor generation)

Examples

Examples Jupyter Notebook
Examples Command line

API Reference

Main Modules
Other Modules

Technical

Requirements
Basic usage
Default and Required Parameters
Tests
Features and Modules

Misc

Versions
Development
License
Help?

aqme

License
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License

AQME is freely available under an MIT License

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© Copyright 2024, Juan V. Alegre Requena, Shree Sowndarya S. V., Alturaifi T., Pérez-Soto R., Robert S. Paton.

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