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Software Tools


Our Atomistic Line Graph Neural Network (ALIGNN) models are designed to predict atomistic properties with high accuracy. They can successfully predict single

Polymer Analytics

The Polymer Analytics project was established with the goal of accelerating the discovery of new polymer physics through the development of datasets, methods

Cloud of Reproducible Records

An important part of the NIST (National Institute of Science and Technology) MGI (Materials Genome Initiative) effort is to investigate infrastructure and tools

Materials Design Toolkit

This framework provides the generic environment for materials design. The ICME (Integrating Computational Materials Engineering) approach is implemented for

Object Oriented Finite Elements (OOF)

OOF is a collaborative effort between the Information Technology Laboratory and the Material Measurement Laboratory at NIST. The intended audience of the OOF


OpenCalphad (OC) is an informal international collaboration of scientists and researchers interested in the development of high quality software and databases

CHiMaD Phase Field Community

CHiMaD Phase Field Website Repository See the live website at In January 2015 a group of phase field