Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC) profile picture

Jason Cole @theduckmachine.bsky.social

@JasonColeCCDC

A crystallographer, chemist and software developer. Works at @ccdc_cambridge. Views my own. Now no longer monitoring this account.

 Cambridge, UK
Joined May 2013
  • Tweets2.7K
  • Following305
  • Followers239
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Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)Photo by Jason Cole @theduckmachine.bsky.social (@JasonColeCCDC)
Jason Cole @theduckmachine.bsky.social retweeted
CCDC Cambridge (@ccdc_cambridge) profile picture
CCDC Cambridge@ccdc_cambridge16 Oct 2024
📢 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. ccdc-info.com/3NyZJ5b
Image from CCDC Cambridge (@ccdc_cambridge)
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Jason Cole @theduckmachine.bsky.social retweeted
Benoît Baillif (@BaillifBen) profile picture
Benoît Baillif@BaillifBen11 Jul 2024
I am happy to share that our preprint on benchmarking structure-based 3D molecular generative models is online: arxiv.org/abs/2407.04424. Thanking my co-authors @AndreasBenderUK , @mccabe_p_ and @JasonColeCCDC 1/10
Benchmarking structure-based three-dimensional molecular...

Benchmarking structure-based three-dimensional molecular...

Three-dimensional (3D) deep molecular generative models offer the advantage of goal-directed generation based on 3D-dependent properties, such as binding affinity for structure-based design within...

arxiv.org
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Jason Cole @theduckmachine.bsky.social retweeted
Cambridge City Council (@camcitco) profile picture
Cambridge City Council@camcitco3 Jul 2024
✖ 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: cambridge.gov.uk/elections-a…
A large inflatable 'X' with King's College Cambridge in the background

ALT A large inflatable 'X' with King's College Cambridge in the background

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Jason Cole @theduckmachine.bsky.social retweeted
Pete Wood (@DrPeteWood) profile picture
Pete Wood@DrPeteWood20 Feb 2024
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 doi.org/10.1021/acs.cgd.4c00…
Image from Pete Wood (@DrPeteWood)
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Jason Cole @theduckmachine.bsky.social retweeted
CCDC Cambridge (@ccdc_cambridge) profile picture
CCDC Cambridge@ccdc_cambridge1 Nov 2023
Update from our Data Integrity team on our ongoing investigations in to structures associated with a pre-print on a papermill in crystallography. 🔗ccdc-info.com/3SluONu
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Jason Cole @theduckmachine.bsky.social retweeted
JCIM & JCTC Journals (@JCIM_JCTC) profile picture
JCIM & JCTC Journals@JCIM_JCTC17 Oct 2023
Augmented Reality for Enhanced Visualization of MOF Adsorbents pubs.acs.org/doi/10.1021/acs… @lawsonglasby @oktavian_rama @cordiner_joan @JasonColeCCDC @MoghadamPeyman @ccdc_cambridge #JCIM Vol63 Issue19 #ApplicationNotes
Augmented Reality for Enhanced Visualization of MOF Adsorbents

Augmented Reality for Enhanced Visualization of MOF Adsorbents

Abstract. Augmented reality (AR) is an emerging technique used to improve visualization and comprehension of complex 3D materials. This approach has been a

pubs.acs.org
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Jason Cole @theduckmachine.bsky.social retweeted
Peyman Z. Moghadam (@MoghadamPeyman) profile picture
Peyman Z. Moghadam@MoghadamPeyman17 Sep 2020
Visualising MOFs with AR: thanks to my curious student, Dinusha!
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Jason Cole @theduckmachine.bsky.social retweeted
CCDC Cambridge (@ccdc_cambridge) profile picture
CCDC Cambridge@ccdc_cambridge7 Jun 2023
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
Image from CCDC Cambridge (@ccdc_cambridge)
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Jason Cole @theduckmachine.bsky.social retweeted
John R Helliwell (@HelliwellJohn) profile picture
John R Helliwell@HelliwellJohn6 Jun 2023
Crystallography Education: Our article on “Golden Oldies” articles that should be read is now online journals.iucr.org/e/issues/2… @ActaCrystE We also offer comments how these articles fit into the ‘philosophy of science progress’. @iucr @ECA_social @ACAxtal @britcryst @IUCr2023
Golden oldies: ten crystallography articles that we think must be read

Golden oldies: ten crystallography articles that we think must be read

We have selected a set of ten diverse crystallography articles to illustrate important moments in the development of our field of science. They are a mixture of `science pull and technology push'....

journals.iucr.org
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Jason Cole @theduckmachine.bsky.social retweeted
Peyman Z. Moghadam (@MoghadamPeyman) profile picture
Peyman Z. Moghadam@MoghadamPeyman18 May 2023
pubs.acs.org/doi/10.1021/acs… Excellent collaborative work with the @ccdc_cambridge , @JasonColeCCDC, @MoosaviSMohamad, @JoanCordiner1 and most important of all, my great students.@uclchemeng @MOF_papers
DigiMOF: A Database of Metal–Organic Framework Synthesis Information Generated via Text Mining

DigiMOF: A Database of Metal–Organic Framework Synthesis Information Generated via Text Mining

Abstract. The vastness of materials space, particularly that which is concerned with metal–organic frameworks (MOFs), creates the critical problem of perfo

pubs.acs.org
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Jason Cole @theduckmachine.bsky.social retweeted
Benoît Baillif (@BaillifBen) profile picture
Benoît Baillif@BaillifBen12 Apr 2023
I am thrilled to see my review on 3D molecular generative models published in Current Opinion in Structural Biology: sciencedirect.com/science/ar… @AndreasBenderUK @JasonColeCCDC @mccabe_p_
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Jason Cole @theduckmachine.bsky.social retweeted
CCDC Cambridge (@ccdc_cambridge) profile picture
CCDC Cambridge@ccdc_cambridge29 Mar 2023
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. hubs.ly/Q01JlDdG0 #Crystallography #Catalysis #Informatics
Image from CCDC Cambridge (@ccdc_cambridge)
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Jason Cole @theduckmachine.bsky.social retweeted
CCDC Cambridge (@ccdc_cambridge) profile picture
CCDC Cambridge@ccdc_cambridge9 Mar 2023
We can find the periodic table elements in everyday life, but how much do we know about them? In this video Rosie Lester explores some elements and facts that you might not have heard in school. 👀 hubs.ly/Q01FRrRh0 #periodictable #edutwitter #ChemistryEducation
Image from CCDC Cambridge (@ccdc_cambridge)
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Jason Cole @theduckmachine.bsky.social retweeted
CCDC Cambridge (@ccdc_cambridge) profile picture
CCDC Cambridge@ccdc_cambridge2 Mar 2023
It is with great sadness that we learn of the passing of Dr Olga Kennard OBE FRS, founder of the Cambridge Structural Database. Our thoughts and condolences extend to Dr Kennard’s family and friends at this time. 🔗 hubs.ly/Q01DYkJy0 #Crystallography #ChemTwitter
Image from CCDC Cambridge (@ccdc_cambridge)
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Jason Cole @theduckmachine.bsky.social retweeted
Guillaume Laconde (@Glaconde34) profile picture
Guillaume Laconde@Glaconde342 Feb 2023
It's not a protac but it's not less interesting 😃Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists pubs.acs.org/doi/10.1021/acs…
Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor...

Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor...

Abstract. Herein, we report the optimization of a meta-substituted series of selective estrogen receptor degrader (SERD) antagonists for the treatment of E

pubs.acs.org
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So much for free speech. Was nice being on here but I think I am now done and will be going elsewhere. Thanks for the interaction. My mastodon name is in my profile. Twitter bans some journalists who cover Elon Musk - bbc.co.uk/news/world-us-cana…
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A lot of this doesn't surprise me. On EHC plans, it's a ridiculously imbalanced process. LEAs have 20 weeks to provide a decision on the plan, and often fail to meet that's deadline. Parents only get 2 weeks to comment on the LEA findings ... bbc.co.uk/news/education-638…
Staff crisis holds children back post-Covid - Ofsted

Staff crisis holds children back post-Covid - Ofsted

The regulator warns that staff shortages are affecting pandemic recovery in schools.

bbc.co.uk
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I think some of our newspapers are generating quite a bit of misleading bilge already. They don't seem to need an AI system to achieve this!
emily bell (@emilybell) profile pictureemily bell@emilybell4 Dec 2022
ChatGPT proves my greatest fears about AI and journalism - not that bona fide journalists will be replaced in their work - but that these capabilities will be used by bad actors to autogenerate the most astounding amount of misleading bilge, smothering reality
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