Iranian Scientists Develop Nanomaterials Python Library for Advanced Materials Data Analysis

The goal of this project is to develop an open-source Python scientific library in the field of materials engineering and nanostructures that makes material data analysis, engineering transformations, and machine learning models available to researchers with just one line of code.

This project is the first step towards creating a native software infrastructure in materials science based on nanoscale data and can be the basis for the formation of a national analytical database for the country's future research.

The project has been designed with the aim of creating an open-source and home-grown Python scientific library in the field of materials engineering and nanostructures; a library that allows researchers to access computational tools, scientific data, and complex analytical models with just a single line of code.

This scientific library is a collection of computational and analytical modules that focus on scientific material constants, engineering transformations, internal functions, and experimental and simulated data analysis. Currently, this library has been published on the global platform PyPI (the official repository of Python libraries) along with comprehensive documentation in English. In November 2025, the second version will replace the initial version, including Persian documentation; the goal is to update and expand a wide range of analyses and connect to more databases.

According to the project leader, this library not only provides classic computational tools, but also intelligently uses machine learning algorithms to analyze nanomaterial data. Users will be able to analyze data from laboratory tests or molecular simulations with this tool and extract patterns of relationships between the structure and properties of the material.

A Python library is a collection of files (called modules) that contains functions that you can use in your programs. Some libraries (also referred to as packages) contain standard data values or language resources that you can reference in your code.

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