HYBRID MEETING - please use this registration link for VIRTUAL attendance
The IN-PERSON meeting will be held at the Cambridge Crystallographic Data Centre on Union Road, and be capped at 30 attendees. For IN-PERSON attendance please email andreas AT drugdiscovery.net for registration. Afterwards, at 6pm, we will go to the Panton Arms, and everyone is welcome to join there!
"Efficient algorithms for fingerprint similarity search and diversity selection"
Andrew Dalke, Dalke Scientific (remote)
"Chemical substructure and similarity search at scale on a Graph computing platform"
Andrew Stolman, Katana Graph (remote)
"Automated determination of optimal λ schedules for free energy calculations"
Sofia Bariami, Cresset (in-person)