Presentations
- Intro to the RDKit: History and Status Greg Landrum
- Conformer Generation using RDKit JP Ebejer
- Comparing Predictions from Matched Pair Analysis and Support Vector Machines using RDKit and KNIME Dave Evans
- Development of web-based tools with RDKit & Django Paul Czodrowski
- ChEMBL and RDKit: Marrying Open Data with Open Tools Rodrigo Ochoa
- Cheminformatics Toolkits: A Personal Perspective Roger Sayle
Tutorial material
- Fingerprints in the RDKit Greg Landrum
- Tutorials Source Greg Landrum and Nikolas Fechner