MDTerp

Name	MDTerp JSON
Version	1.1.0 JSON
	download
home_page	None
Summary	A python project for interpreting molecular dynamics trajectory metastable state classifications from machine-learning models
upload_time	2025-08-03 06:40:50
maintainer	None
docs_url	None
author	None
requires_python	>=3.8
license	MIT License
keywords	mdterp
VCS
bugtrack_url
requirements	numpy scikit-learn scipy matplotlib
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # MDTerp


[![image](https://img.shields.io/pypi/v/MDTerp.svg)](https://pypi.python.org/pypi/MDTerp)
![MDTerp](./docs/MDTerp_logo.png)


**A python project for interpreting molecular dynamics trajectory metastable state classifications from machine-learning models**


-   Free software: MIT License
-   Documentation: https://shams-mehdi.github.io/MDTerp
    

## Features

-   Scans blackbox AI classifier models trained on MD data for feature importance.

## Demos

-   [Notebook 1](docs/examples/MDTerp_demo1.ipynb)
-   [Notebook 2](docs/examples/MDTerp_demo2.ipynb)

            

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