agent-materials-science is an open-source Python CLI agent designed to automate workflows in materials science, with a focus on surface adsorption analysis. It integrates machine learning and DFT tools to assist researchers and computational chemists in streamlining complex analyses. The package is suitable for academic and industrial research environments.
agent-materials-science sits in PulseGate's Other AI category. It focuses on automating and streamlining surface adsorption analysis in materials science research workflows. It is built as an open-source project for materials scientists and computational chemists. agent-materials-science is open source under the MIT license. It runs on the command line.
agent-materials-science first shipped in 2025. Development happens publicly on GitHub with 6 commits in the last 90 days. Key capabilities include surface adsorption analysis, automated workflows, and DFT integration.
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