[computing] Input for IUCr-2020 sessions

[Andrea Thorn]

Dear all,

I very much agree we should have these three joint MS.

Dear Rita,

we have discussed alphafold in the lab as we are using U-Nets and
neuronal networks in general. I also talked about it with TomTerwilliger
(in particular with the regard to their usage of evolutionary
couplings). He would be "the person"!

I am however not sure if this is a good subject for a workshop, or
whether a microsymposion or workshop on "machine learning and neuronal
networks in crystallography/ in structural biology" would be more suitable.

Best wishes


Andrea.

On 05.03.2019 15:18, Rita Giordano wrote:
> 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/
> 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
>
>
> —————
> Data Scientist, PhD
> rgiordano at gmx.com <mailto:rgiordano at gmx.com>
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>
>
>> On 4 Feb 2019, at 23:38, Proffen, Thomas E. <tproffen at ornl.gov
>> <mailto: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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--
Dr. Andrea Thorn
Rudolf Virchow Center for Experimental Biomedicine
University of Wuerzburg
Josef-Schneider-Str. 2
97080 Wuerzburg
Germany

andrea.thorn at web.de
http://shelx.uni-ac.gwdg.de/~athorn

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