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datalab is a place to store experimental data and the connections between them.

Python 89 27 Updated Aug 7, 2026

jobflow-remote is a Python package to run jobflow workflows on remote resources.

Python 40 22 Updated Aug 7, 2026

atomate2 is a library of computational materials science workflows

Python 334 155 Updated Aug 3, 2026

Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.

Python 21 10 Updated Jan 20, 2025