SEDenmarkLab

SEDenmarkLab

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SEDenmarkLab's repositories

molli

Molecular Library Toolbox

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Lucid_Somnambulist

Active learning applied to Pd-catalyzed C-N couplings.

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molli_firstgen

In silico library generation tool box

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molli-docs

Documentation for molli package

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BOX_VMA

programs for BOX library construction and ligand selection

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irproc

IR spectra batch processing and plotting

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