Talia Kimber

Senior Data Scientist

[Jannis Born @JannisBorn]

Now out in @digital_rsc, our chemical language model for molecular property prediction:
1) Outperforms prior art
2) Validated on a large, proprietary tox. dataset
3) Reveals cytotoxic motifs via attention
4) Uses uncertainty to improve reliability
🧐https://t.co/YPXe22H1yi
🧵⬇️

[Talia Kimber @TaliaKimber]

I loved working with @DominiqueSydow and Andrea Volkamer on this pipeline! #TeachOpenCADD notebooks for kinase comparison. Thank you, @livecomsj!

[Living Journal of Computational Molecular Science @livecomsj]

We’ve got a new article out, from Andrea Volkamer’s group, on a pipeline for kinase similarity assessment in order to help predict off-target effects. Check it out! The pipeline is part of TeachOpenCADD, and the code is all available. #CompChem
https://t.co/XeIFcxZ2C4

[Talia Kimber @TaliaKimber]

This is the perfect starting point for many applications: lectures/courses, bio/chem-informatics pipelines, research, software development, and more! Very proud to be part of such a great project! #teachopencadd

[Talia Kimber @TaliaKimber]

@rguha Even though the molecule is indeed the same, the SMILES notations will be dissimilar (various views of the same molecule). Therefore the input to the model will be different and the model will produce distinct outputs.

[Talia Kimber @TaliaKimber]

Are you tired of hearing that deep learning needs more data and that physico-chemical data sets are still scarce? Check out our latest publication https://t.co/eGdCFcDQeB for some augmentation strategies to improve your predictions!

[AI in the Life Sciences @AILSCI]

"Maxsmi: Maximizing molecular property prediction performance with confidence estimation using SMILES augmentation and deep learning" Available on @AILSCI!

🔗Find out more at: https://t.co/HKvow0uPT4

#Maxsmi #SMILES #opensource #AI #DeepLearning #openaccess

[struc2drug @struc2drug]

Join our next @struc2drug seminar on Thursday at 15:00 (CET)!
@Guille_PH and @tmhmpl will discuss with us how to guide GPCR and SARS-CoV-2 research by deciphering interaction profiles with MD simulations.

Find more details on https://t.co/E5YCTDQNVh

[ChEMBL Database @ChEMBL]

ChEMBL 29 is released!

[struc2drug @struc2drug]

Join our next @struc2drug seminar this Thursday at 17:00 (CEST) on "Computational tools guiding drug discovery for ion channels and kinases" with @davimau and @dominiquesydow.
Contact us for an invite to the call!
More details: https://t.co/E5YCTDzd3J

[Talia Kimber @TaliaKimber]

Very much looking forward to #liskjs2021 and the research on interoperability! See you soon @LiskHQ! #Interoperability #javascript #LISK #js #coding #cryptocurrency #futureofcrypto

[Gianni De Fabritiis @gdefabritiis]

TorchMD paper is out, a bio-molecular code entireley written in #PyTorch to build machine learning potentials and end-to-end molecular simulations. A collaboration with T. Giorgino, @FrankNoeBerlin @CecClementi and @acellera. https://t.co/J5PpDej4J4
https://t.co/UBwwSjqUyY

[Lisk @Lisk]

#Lisk Research Scientist, Alessandro Ricottone, is now on stage in the #LiskCenterBerlin.

He’s showcasing the four milestones for Lisk’s Interoperability and announcing the Interoperability direction for Lisk.

To learn more, join the #LCBevent online:

https://t.co/fcFPpX28kw.

[Talia Kimber @TaliaKimber]

Super happy about the latest updates of #TeachOpenCADD ! Congratulations to @DominiqueSydow and @jaime_rgp ! #RDKitUGM2020 lightning talk.

[Jaime R. @jaime_rgp]

For the last months, we have been working on putting our new website up. It's been online for a couple of weeks now so I think it's time to make it public:

AG Volkamer is now reachable via https://t.co/2OhriOQAmW!

Let us know what you think :)

[François Chollet @fchollet]

Honestly, the question is not, and has never been, "can machine learning replace radiologists/etc" (which won't happen in the foreseeable future). The question is, how can radiology/etc utilize ML to improve outcomes, decrease the cost of care, and broaden accessibility.

[Aron van Ammers ⛺⛰🏔 @aronvanammers]

@oceanprotocol @Fetch_ai And that's @MaximeGagnebin, with Captain Nemo team mates being @TaliaKimber and Alessandro Ricottone (https://t.co/JTlUQALCj7)

[Talia Kimber @TaliaKimber]

Nice talk by the research team, @MaximeGagnebin, at @LiskHQ! #liskJS2019

[Talia Kimber @TaliaKimber]

Great talk @DominiqueSydow at the #RDKitUGM2019 about #teachopencadd !

[Chaya Stern, PhD @SternChaya]

Great poster by @TaliaKimber at #RDKitUGM2019 !