QMOF Database
@QMOF_Database
The sentient part of the Quantum MOF (QMOF) Database, here to share announcements and updates. Friend of @Andrew_S_Rosen (and hopefully you too!).
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Our new paper using the QMOF Database is now online! Please cite this work if you use the new MOF Explorer App on the Materials Project (materialsproject.org/mofs). nature.com/articles/s4152…
It's official! I'll be joining @Princeton as an Assistant Professor of Chemical and Biological Engineering starting in summer 2024, supported in part by a recent initiative in interdisciplinary data science! 🐅 Thank you so much to all who helped me get here! 😊🙏 And...
Our new PMTransformer outperforms MOFTransformer in predicting the properties of porous materials including MOFs, COFs, PPNs, and zeolites from @QMOF_Database, CoreMOF, and CURATED-COF database, etc. Check out our work on universal transfer learning in porous materials.
We’ve released a groundbreaking machine learning model that enables transfer learning across porous materials! Learn how we achieved universal transfer learning and cross-material few-shot learning in porous materials with @hspark1212 and @jihankim929. chemrxiv.org/engage/chemrxi…
And that's a wrap! After 975 votes, the winner of #MOFMadness is... NU-1000!!! Cheers to @Farhomies, @OmarFarha5, and @NUChemistry! For the third round in a row, NU-1000 turned the tides and gained massive ground in the final hours, this time to win it all! 1/4
Welcome to the grand finale of #MOFMadness (a collab w/ @KCarsch)! You have 48 hrs to vote (and campaign) for the one true champion. Shall it be Prussian Blue or NU-1000? You decide! The winner will formally be announced on Monday!
Round 4 of #MOFMadness (a collab w/ @KCarsch) is ready for your votes below! It’s down to the “Functional Four” — decide who will make it to the final round tomorrow in the grand finale of MOF Madness! Vote, vote, vote!
Welcome back to another round of #MOFMadness, joint with @KCarsch! Round 2 features the “Synthetic 16” — the Top 16 MOFs voted by you (naming credit: @cranfordMATTER). Cast those votes below and return tomorrow for Round 3! Share with all your MOF friends (and enemies).
In collaboration with @KCarsch, we present... #MOFMadness! Vote below for the MOFs that you think should come out on top! What criteria, you might ask? Whatever you value most: beauty, brains, brawn — it's up to you! Cast your ballots below! 🗳️ Winning MOF gets a proverbial $5.
The latest in #AI4Science: ✨Diffusion based antibody design ✨New NN architecture for tabular data modeling ✨Data driven stable crystalline hydrate prediction ✨@QMOF_Database ✨A new "Informatics Help Desk" and more #AI/#ML/data for science!🤖🧵
Many thanks to @stama1_ for publishing this nice @MRSBulletin "Materials News" article on our recent @QMOF_Database paper originally published in @Nature_NPJ Computational Materials! Thank you to @lonepair for the quote as well 😊 link.springer.com/article/10.155…
Big news!!! Thanks to @kmjablonka for this heroic effort!
We provide a consistent API to commonly used datasets and add gas storage/separation and process labels to the @QMOF_Database - computed reproducibly using @aiidateam workflows (see the visualization of our immense provenance graph, rendered w/ @Gephi).
Thank you for the kind shoutout, @lonepair, as well as for the inspiration from the exciting research out of your group! Check out "The Ground Truth is Out There" — A Materials Project Seminar by Prof. Aron Walsh. youtu.be/mksw2aQDdRk.
In fact, this is where all of my data lives behind the scenes! contribs.materialsproject.org/projects/qmof
I would recommend taking a look at MPContribs.org - it will not just give you a flat file but also organization, an API and exposure to the Materials Project users #materialsproject
There is something special in the works over at the Materials Project. Come to @Andrew_S_Rosen's AIChE talk on Wednesday, Nov. 17th from 09:48 AM - 10:00 AM (EST) to hear more about it! Can't make it? We'll share more on Twitter very soon. 😉 aiche-ann21.meetbreakout.com/ondemand/machi…
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