AI-enabled assistants are now integrated into Flare™ to augment both the graphical application and the Flare Python API (PyFlare). The objective is to improve task efficiency and reduce barriers for users with varying levels of experience in programming and computational chemistry. In this session, we will demonstrate how the Chat Model (doc-aware guidance for GUI features) and the Code Model (runnable PyFlare™ snippets and explanations) of the AI assistants can streamline everyday workflows while preserving scientific rigor. We will cover recommended practices and prompting strategies for interacting with the AI assistants in order to maximize productivity for users with varied levels of expertise in computational chemistry and coding.

Date

10th December 2025

Time

14:00 GMT / 15:00 CET / 09:00 ET / 19:30 IST

Duration

30 minutes

About the Presenters

Mutlu Dogruel, VP, AI Solutions

Mutlu is the VP of AI Solutions at Cresset, where he leads the integration of AI across the company’s drug discovery products and services, focusing on productivity, responsible AI practices, systematic AI deployment, and internal optimisations. Mutlu has a robust academic background that includes a PhD in Bioinformatics from the University of Cambridge and a Master’s degree in Bioengineering.

Qi Yuan, Computational Chemistry Developer

Qi is a Computational Chemistry Developer at Cresset. He earned his PhD in Chemistry from Imperial College London where his research focused on computational study of photochemistry of agrochemicals. He then performed postdoctoral research on artificial intelligence for material discovery at Imperial College. Since joining Cresset in 2022, Qi worked in the Science team on various projects involving AI, protein-protein docking, QSAR model development and water analysis.

Register

If you are unable to join on the day, please register as we will also be sending out a link to all registrants after the session to view the recording on demand.