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ShakeNBreak: Navigating the defect configurational landscape
Python Roff
published Published over 4 years ago
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
Python
published Published over 4 years ago
Chemiscope: interactive structure-property explorer for materials and molecules
JavaScript TypeScript
published Published about 5 years ago
MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination
Python JavaScript
published Published over 5 years ago
Basicsums: A Python package for computing structural sums and the effective conductivity of random composites
Python
published Published almost 6 years ago