MaterialsIO is a library of tools that generate summaries of the data contained in scientific data files. The goal of MaterialsIO is to provide a shared resources of these tool to avoid duplication of effort between the many emerging materials databases. Each parser is designed to generate the sum of all data needed by each of these databases with a uniform API so that specific projects can write simple adaptors for their needs.
MaterialsIO is still under early stages of development. To use it, first clone this repository and then install the library with pip:
git clone git@github.com:materials-data-facility/MaterialsIO.git
cd MaterialsIO
pip install -e .Each specific parser module has its own set of required libraries.
Given that some modules have extensive dependencies, we do not install all of them automatically.
You can install them either module-by-module using the pip "extras" installation (e.g., pip install -e .['image']),
or install all requirements with the requirements file pip install -r requirements.txt.
- Complete documentation for MaterialsIO is on Read the Docs.
- List of Available Parsers
This work was performed in partnership with Citrine Informatics. This was also performed under financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Material Design (CHiMaD). This work was also supported by the National Science Foundation as part of the Midwest Big Data Hub under NSF Award Number: 1636950 "BD Spokes: SPOKE: MIDWEST: Collaborative: Integrative Materials Design (IMaD): Leverage, Innovate, and Disseminate".