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exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design
Python
published Published over 2 years ago
pymatgen-analysis-defects: A Python package for analyzing point defects in crystalline materials
Python Jupyter Notebook
published Published over 2 years ago
NOMAD: A distributed web-based platform for managing materials science research data
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optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
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published Published over 5 years ago
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
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published Published over 6 years ago

