Seems like the online registration on eventbrite has "sold out", can you confirm? Thanks!

Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry From accelerating simulations and exploring chemical space, to experimental planning and integrating automation within experimental labs, artificial intelligence (AI) is changing the landscape of chem...

Very happy to put forward our thoughts on how AI/LLMs can enhance chemistry/materials data management & analysis, and what's needed to enable it, to this expansive perspective by Austin Mroz, @jelfschem.bsky.social and many other excellent contributors! doi.org/10.1039/D5CS... #chemsky #matsky

Looks like an incredible dataset, though I'm surprised Sci Data let them publish it on Google Cloud rather than a proper public data repository!

Awesome, great to see! We can be quite proactive in fixing any bugs that arise but usually the issue is intermittency of the underlying databases. Usability feedback on the client also appreciated!

Managed to croak my way through my talk with cold sweats (ill, not hungover -- honest), DM/email if you want the slides, otherwise here's some useful links

The title slide for the talk "Decentralised materials research data management, curation and dissemination for accelerated discovery" at MRS Fall 2024, by Matthew Evans.

Sunset across the lake at Boston Common.

Boston Public Library reading room

In sunny Boston for #f24mrs! Just putting the "finishing" touches on my talk from the public library ready for Tuesday at 13:30. Come listen to me talk about OPTIMADE, datalab and their relevance to broadening access to AI in materials research! Proof that at least one slide exists is attached...

work with @yue-here.com and Josh Bocarsly (who had only just been convinced to join twitter, let alone another one!)

Great to see this out with a fantastic set of examples! Our work on an agentic interface for datalab continues at github.com/datalab-org/..., with our "llms.txt" embedded as a Jupyter magic (inspired by langsim and other projects from the paper!)

I'm making the trip over to speak about (OPTIMADE + datalab) * AI @ 13:30 on Tuesday --- then the week after I'll be in your area visiting Josh, would be great to meet!

GitHub - materialscloud-org/optimade-maker: Tools for making OPTIMADE APIs from various formats of structural data (e.g. an archive of CIF files). Tools for making OPTIMADE APIs from various formats of structural data (e.g. an archive of CIF files). - materialscloud-org/optimade-maker

github.com/materialsclo... is probably the most relevant, as it streamlines the process from Files -> API, so if your database updates infrequently (say < 1 per day) you can just maintain a separate export that can be ingested & queried via OPTIMADE

Thanks! Yeah, it's always a bit tricky to integrate with existing apps, we do have some new tools for this if you wanted to circle back at some point!

#chemsky #matsky #datsky? whatever, just holler if you are interested in chatting about any of this, otherwise this profile will go to the graveyard with twitter/masto

agh already butchered the #chemsky / #matsky hashtags, if only there was someone I could pay to edit posts 😶‍🌫️

Not sure what the near-future holds for me, so I recently started a company to try carry on dev outside of academia, if needed (datalab.industries). Will be speaking about a project with the PSDI tomorrow, where I have been tasked with creating an OPTIMADE API for the Cambridge Strucutral Database.

GitHub - datalab-org/datalab: datalab is a place to store experimental data and the connections between them. datalab is a place to store experimental data and the connections between them. - datalab-org/datalab

Hi #chemsky/#matsky, I'm a researcher at UCLouvain & Matgenix in Belgium working mostly on open science software for materials discovery and expt. data management. Most of my time is spent developing datalab, though I still work on OPTIMADE and high-throughput DFT+ML.