Jason Cole @theduckmachine.bsky.social

A crystallographer, chemist and software developer. Works at @ccdc_cambridge. Views my own.

Now no longer monitoring this account.

[CCDC Cambridge @ccdc_cambridge]

📢 The 7th Crystal Structure Prediction (CSP) Blind Test results are out!

CSP, predicting a crystal structure from a 2D formula, is a grand challenge in chemistry. Solving it would expedite world changing R&D. This test lets scientists advance methods.

https://t.co/XvW7NDs3rk

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@MichaelRosenYes Sorry! Hadn't seen that before! Going to buy that.

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@MichaelRosenYes You need to find a decent young aspiring illustrator to do cartoons to all your cat tweets and turn it into a book!

[Benoît Baillif @BaillifBen]

I am happy to share that our preprint on benchmarking structure-based 3D molecular generative models is online: https://t.co/sFON1OqWoH. Thanking my co-authors @AndreasBenderUK , @mccabe_p_ and @JasonColeCCDC 1/10

[Cambridge City Council @camcitco]

✖ Polling stations are open from 7am-10pm tomorrow across Cambridge for the general election

✖Don't forget to bring photo ID to the polling station in order to vote

✖If you need any assistance just ask a member of staff

Find out more here: https://t.co/AFMgruWAEk

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@bossy_mare @Rob_Marley_VO She is so right.

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@computermuseum Small suggestion .. Try to be open on bank holidays. People are more likely to be able to visit a museum then, because they are on holiday ...

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@amacullen @AdamLBrown3 @MartinSLewis We went through a massive bun fight with British Gas. Be very persistent, don't let them get away with it. Also keep records. In our case it was completely inaccurate. They deleted the historical records too but we'd kept a screen shot before hand of the web page.

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@GntlmnScientist @biochem_fan @gonenlab Not many electrons in hydrogen so I'm guessing they're hard to resolve

[Pete Wood @DrPeteWood]

Delighted to see this published in @CGD_ACS! Impactful insights into the role of entropy in crystal structures. With Cameron Wilson, Simon Parsons, Heike & Jan at @EdinburghChem, as well as Jeff at @isisneutronmuon. #crystallography https://t.co/judSM9VXhc

[CCDC Cambridge @ccdc_cambridge]

Update from our Data Integrity team on our ongoing investigations in to structures associated with a pre-print on a papermill in crystallography.

🔗https://t.co/RsjM1b2y0y

[JCIM & JCTC Journals @JCIM_JCTC]

Augmented Reality for Enhanced Visualization of MOF Adsorbents
https://t.co/bjW3kmi2wc
@lawsonglasby @oktavian_rama @cordiner_joan @JasonColeCCDC @MoghadamPeyman @ccdc_cambridge
#JCIM Vol63 Issue19 #ApplicationNotes

[Peyman Z. Moghadam @MoghadamPeyman]

Visualising MOFs with AR: thanks to my curious student, Dinusha!

[CCDC Cambridge @ccdc_cambridge]

This afternoon we hosted the Cambridge #Cheminformatics Meeting. Topics covered included structure-based drug design, deep learning for scraping, curating, and registering compounds, and distributed HPC workflow with covalent.
@Cambridge_Uni @agnostiqHQ #drugdiscovery

[John R Helliwell @HelliwellJohn]

Crystallography Education: Our article on “Golden Oldies” articles that should be read is now online https://t.co/Gr66BJs3Y1 @ActaCrystE We also offer comments how these articles fit into the ‘philosophy of science progress’. @iucr @ECA_social @ACAxtal @britcryst @IUCr2023

[Peyman Z. Moghadam @MoghadamPeyman]

https://t.co/C3kHYM1wt6
Excellent collaborative work with the @ccdc_cambridge , @JasonColeCCDC, @MoosaviSMohamad, @JoanCordiner1 and most important of all, my great students.@uclchemeng @MOF_papers

[Jason Cole @theduckmachine.bsky.social @JasonColeCCDC]

@curiouswavefn Be careful what you tell it.

https://t.co/Lpcc1WqAY4

[Benoît Baillif @BaillifBen]

I am thrilled to see my review on 3D molecular generative models published in Current Opinion in Structural Biology: https://t.co/IgnyDDOS7L
@AndreasBenderUK @JasonColeCCDC @mccabe_p_

[CCDC Cambridge @ccdc_cambridge]

New research paper in @RoySocChem journal presents a workflow with significant advantages over previous methods with wide applications in catalyst design including pharmaceutical process development.
https://t.co/fH6cVxk94p

#Crystallography #Catalysis #Informatics