[computing] Input for IUCr-2020 sessions

Rita Giordano rgiordano at gmx.com
Tue Mar 5 14:18:01 GMT 2019


Dear Thomas,

Sorry to replay so late. I agree at this kind of session also since what was done recently at deep mind:
https://deepmind.com/blog/alphafold/ <https://deepmind.com/blog/alphafold/>
Do you know which expert could do an introduction of these topic? I don’t think that everybody in crystallography are using it.
In my opinion would be interesting to organise a workshop from beginner to intermediate to explain how this machine learning algorithm could be applied to crystallography.
Starting from simple concept how to apply prediction models to more sophisticated algorithm for AI.

I also available for further discussion.

Best regards,

Rita


—————
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> On 4 Feb 2019, at 23:38, Proffen, Thomas E. <tproffen at ornl.gov> wrote:
> 
> Good afternoon,
>  
> I have the honor of being the representative of the crystallographic computing commission on the IUCr2020 IPC and am soliciting ideas for micro-symposia for the IUCr 2020 meeting. Personally I would be interested to see a session highlighting emerging machine learning / AI approaches in crystallography. Please let me know of any ideas or past symposia you suggest we repeat and I will compile a list. My preliminary input is due March 1.
>  
> Thank you so much,
> Thomas 
>  
>  
> Thomas Proffen / Director Science Initiative for High Performance Computing, Modeling, and Data Analytics  and Powder Diffraction Team Lead / Neutron Scattering Division / Neutron Sciences Directorate / Oak Ridge National Laboratory / PO Box 2008, Oak Ridge, TN 37831-6473 /  Tel: +1-865-576-8633
>  
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