Pinned Repositories
Atropselective-Iodination
BOX_VMA
programs for BOX library construction and ligand selection
irproc
IR spectra batch processing and plotting
Lucid_Somnambulist
Active learning applied to Pd-catalyzed C-N couplings.
molli
Molecular Library Toolbox
molli-docs
Documentation for molli package
molli_firstgen
In silico library generation tool box
SEDenmarkLab's Repositories
SEDenmarkLab/molli
Molecular Library Toolbox
SEDenmarkLab/Lucid_Somnambulist
Active learning applied to Pd-catalyzed C-N couplings.
SEDenmarkLab/molli_firstgen
In silico library generation tool box
SEDenmarkLab/irproc
IR spectra batch processing and plotting
SEDenmarkLab/Atropselective-Iodination
SEDenmarkLab/BOX_VMA
programs for BOX library construction and ligand selection
SEDenmarkLab/molli-docs
Documentation for molli package