TheFreiLab

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1. electrum_val electrum_valPublic

   Code and datasets for the validation of the ELECTRUM metal complex fingerprint.

   HTML 6

2. FreiLab-LCMSProcessing FreiLab-LCMSProcessingPublic

   Jupyter Notebook 1

3. ClickCombChem-ML ClickCombChem-MLPublic

   Code utilised for training ML models on combinatorial metal complexes

   Jupyter Notebook 1

4. RutheniumML RutheniumMLPublic

   Jupyter Notebook 1

5. electrum electrumPublic

   Metal-aware molecular fingerprints for transition metal complexes, with coordination stereochemistry (cis/trans, fac/mer, Δ/Λ).

   Python

6. freilab-database freilab-databasePublic

   JavaScript