i-VRESSE jupyterlab haddock3 configurator

doi:10.5281/zenodo.7034466

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i-VRESSE jupyterlab haddock3 configurator

Jupter Lab extension to create/edit haddock3 configuration file.

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47 commitsLast commit ≈ 37 months ago0 stars0 forks

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DOI:

10.5281/zenodo.7034466

Description

You want to run HADDOCK3 molecular modelling software and you need to create a configuration file. This Jupyter Lab extension helps you write the configuration file.