Last released Sep 18, 2024
Konnektor is a package for calculating networks.
Last released Jan 27, 2024
Kartograf is a package for mapping geometrically atoms of two molecules. (like you need it with hybrid topology)
Last released Oct 5, 2023
ABFE Workflow is a pipeline variant of our prior work.
Last released Dec 5, 2022
Last released Jan 4, 2021
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