@PSDS_UK

The voice of the UK Physical Sciences Data science Service (PSDS)

psds.ac.uk/
Joined June 2019
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  • Following101
  • Followers184
44Media
Register for the @RoySocChem CICAG & @ccpbiosim conference Molecular Simulations for #Chemistry on the 14 Jun 24 in London. Early bird registration: 28 Mar; poster abstracts 19th Apr rsc.org/events/detail/78098/… #molecules #simulations #molecularsimulations #ml
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This valentines day and during #LoveData24 we thought this poem from @ErrantScience could do with a little love! Don't forget about your #metadata!
An errant science cartoon of a poem on a card. The poem reads; Roses are red, violets are blue, this card is also stored in a data repository along with the metadata too.

ALT An errant science cartoon of a poem on a card. The poem reads; Roses are red, violets are blue, this card is also stored in a data repository along with the metadata too.

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If you're interested in Machine learning in crystallography and structural science - check out this newly published virtual collection of articles on the topic journals.iucr.org/a/issues/2…

Machine learning in crystallography and structural science

An overview of the virtual collection on machine learning (ML) in crystallography and structural science, as represented in Acta Crystallographica Sections A, B and D, IUCrJ and Journal of Synchrot...

journals.iucr.org
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📢 Save the Date! The eighth annual Research Software Engineering Conference #RSECon24 will take place 03-05 September 2024 in Newcastle upon Tyne, UK. Check out our redesigned conference website for info about the venue, the event & the people behind it: rsecon24.society-rse.org/
RSECon24 will take place 03-05 September 2024 in Newcastle upon Tyne, UK.

ALT RSECon24 will take place 03-05 September 2024 in Newcastle upon Tyne, UK.

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Discover tips and tricks on how to perform advanced searches for porous materials in ConQuest, and learn how to visualize and analyse polymeric bonds in Mercury. Read our blog🔗ccdc-info.com/4aOYfOU #PorousMaterials #MOFs #Crystallography
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PSDS_UK retweeted
AMG@MikeGlazer19 Jan 2024
The winter issue of the @IUCr Newsletter is now available for viewing at iucr.org/news/newsletter/vol….
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All access to CSD via webCSD and remote desktop should now be fully functional. Many thanks to @ccdc_cambridge support desk for helping sort this.
PSDS_UK@PSDS_UK2 Jan 2024
Happy new year to you all! With the switch over to a new licensing period we are experiencing an issue with our CSD license which we are working to fix asap. All other services should be working as expected.
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The work is now complete
the CDS@cds_daresbury2 Jan 2024
There will be a disk upgrade today (02/01/24) - the CrystalWorks server is at risk at 14:00 - 16:00 🔗 cds.dl.ac.uk/cgi-bin/news/di…
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Happy new year to you all! With the switch over to a new licensing period we are experiencing an issue with our CSD license which we are working to fix asap. All other services should be working as expected.
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There will be a disk upgrade today (02/01/24) - the CrystalWorks server is at risk at 14:00 - 16:00 🔗 cds.dl.ac.uk/cgi-bin/news/di…
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The PSDS helpdesk will be closed from 21st Dec to 2nd Jan due to office closures. All services will remain accessible but any manual registrations / query responses will be delayed until January. Happy New Year to all!
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Get a personalized report of the crystal structures you've deposited in the CSD this year with #CSDWrapped. ⭐ Just ask "What's my #CSDWrapped?", tag us and tell us your publishing name. We'll then send back your custom report for the period Oct 2022-Oct 2023. #MoveOverSpotify
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The #365Mineral page on the CDS/DL website is now almost complete - it includes tables order by mineral name, mineral group name, polymorphs as well the number of the day of the year the entries were added. A few more tweaks, but check things out via: cds.dl.ac.uk/cgi-bin/cw_page…
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Our major update work on the website has been completed successfully and all systems should be accessible. If you encounter any issues please contact our support email and we will help you out.
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Sign up to this webinar to hear about how to use #AI and #ML to extract handwritten information from lab books! #artificialintelligence #machinelearning #datascience #data #datascientists
Physical Sciences Data Infrastructure (PSDI)
@PSDI_UK14 Nov 2023
Our next webinar is happening this Thursday! Register now to hear Sam Munday present about extracting data from hand written lab notebooks to create useful, searchable databases and unlocking the trapped knowledge! psdi.ac.uk/event/webinar-dat… #webinar #PhysicalSciences #LabNotebook
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All systems on PSDS are fully operational following the system updates on the weekend. Please try clearing cache if you cannot correctly access the homepage.
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Due to major system upgrades at our hosting site the PSDS web service is inaccessible this weekend (til Mon 30th). Due to system outages the website will be completely down. Apologies for any inconvenience, have a lovely weekend.
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RDKit update released macinchem.org/2023/10/16/rdk… #cheminformatics #rdkit
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