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_pag…

RDKit update released macinchem.org/2023/10/16/rdk… #cheminformatics #rdkit

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.

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.

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

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.

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

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!

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/d…

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.

The work is now complete

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.

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

The winter issue of the IUCr Newsletter is now available for viewing at iucr.org/news/newslette….

📢 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

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/2024/…

Register for the Royal Society of Chemistry 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/… #molecules #simulations #molecularsimulations #ml

This valentines day and during #LoveData24 we thought this poem from ErrantScience could do with a little love! Don't forget about your #metadata!