Macs in Chemistry

Insanely Great Science

Cambridge Cheminformatics Network Meeting

 

Next Meeting: 4pm (UK time) 8 June 2022, via Zoom and in person (hybrid!) details are here http://c-inf.net.

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!

HYBRID MEETING - please use this registration link for VIRTUAL attendance: https://zoom.us/meeting/register/tJwlde-gpz4iG9NZ60YXrbGfGgvDWeozG-QK

Programme Efficient algorithms for fingerprint similarity search and diversity selection Andrew Dalke, Dalke Scientific (remote) http://www.dalkescientific.com

Chemical substructure and similarity search at scale on a Graph computing platform Andrew Stolman, Abbvie (remote) https://www.abbvie.com/

Automated determination of optimal λ schedules for free energy calculations Sofia Bariami and Mark Mackey, Cresset (in-person) https://www.cresset-group.com/

The Cambridge Cheminformatics Network Meetings, which are free to attend and open to all. We start our meetings in the afternoon at 4pm (UK time) with a series of short scientific talks, either on Zoom, or in person. If the latter, we will continue the evening with a mixer at the local pub.

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