Volkamer lab attends the RDKit UGM in Zurich

This year’s RDKit user group meeting was organized by Sereiner Riniker’s lab in Zurich, Switzerland on September 11th-13th. We used this opportunity to present our current projects during the poster sessions:

• Floriane Odje: Morphological data analysis: From descriptor development to predictive modeling
• Paula Kramer: Active learning for fragment-based kinase inhibitor design using docking
• Hamza Ibrahim: MolDockLab: Data-driven workflow to find best balanced consensus docking pipeline for hit identification

Additionally, Afnan Sultan gave a talk about the current state of transformers for property prediction and Antoine Lacour introduced us to his consensus docking tool called DockM8 in his lightning talk.

We were happy to join the UGM this year with such a big group.