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Fast, structure-based, alignment-free protein embedding

Project description

PyPI version

Geometricus Represents Protein Structures as Shape-mers derived from Moment Invariants

A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.

See the documentation or read the preprint.


Geometricus is a Python (3.7+) package with NumPy, SciPy, Numba and ProDy as dependencies.

Install with pip install geometricus


See the Getting Started page for example usage.

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