Lionel Colliandre

computational chemistry, ML/DL for drug design, drug discovery, small molecules & proteins, climbing, wine

all opinions expressed are mine

[Naren Tallapragada @NTallapragada]

I’ve been in the world of “AI for Bio” long enough to see most people come to the same realizations in the same order.

Thought I’d share that journey here to save you all some time. (🙏 @nterminus for hearing me out first.)

Presenting: the 5 Stages of Grief, AI for Bio edition.

[Lionel Colliandre @LColliandre]

@RoccoMeli @cscsch I guess your child found an mistake in cables pluging 😁
Beautiful photo!

[Centre of Bioinformatics Research & Technology @CbirtDirector]

Scientists @TAMU tackle the challenges of structure-based drug design with a new #AI approach. Their #Frag2Seq model applies language models to generate drug molecules fragment by fragment, showing promise in creating more effective target-specific drugs.

https://t.co/MaEKL2cjqE

[Ash Jogalekar @curiouswavefn]

This is especially true when you hear things like "Drug X was developed using AI". The thing is that many, many techniques contribute to drug development. So unless a controlled experiment is done, it's not possible to know how much and how uniquely AI made the discovery possible

[Lionel Colliandre @LColliandre]

@OPIGlets @razoralign Interesting and thanks for this new test.
Do you have examples where the convertion to InChi fails whereas the convertion to can SMILES or RDkit object don't?

[Mario Barbatti @MarioBarbatti]

A blockage in the career evolution of young researchers is not being able to mature and be recognized for their own projects.

This postdoc offer in my group in Marseille gives 3y to independently work on your #artificalintelligence project for chemistry.

https://t.co/GT076ujwvd

[Lionel Colliandre @LColliandre]

@leecronin Can we link this assembly tree to some kind of evolution of biosynthetic products toward the synthesis of taxol?
In other words, are the intermediates product of this tree, compounds that have been biosynthetized during the evolution?

[Dr Philip Lee @drphiliplee1]

Forget the elections tomorrow, France has bigger problems than the National Rally.

[Pedro Ballester @pjballester]

Which are the best models to predict drug toxicity?

Tox24 Challenge by Igor Tetko and colleagues.

To participate, the deadline is 31st August. You can find the full description, rules and timeline at https://t.co/ywmqHkkHk3

#ArtificialInteligence #DrugDiscovery

[UK-QSAR Group @ukqsar]

The @ukqsar discord page is live and almost one hundred members after only a couple of days. Please join and share your knowledge and experience with the wider community!

https://t.co/3flED1RH7X

[antisense. @razoralign]

ema-tool: a Python Library for the Comparative Analysis of Embeddings from Biomedical Foundation Models https://t.co/F6fOeZJKoi

[Matthieu Montes @MatthieuMontes]

Presenting @VTX_mol at the Strasbourg summer school of Chemoinformatics @SFCi_fr with our augmented poster thanks to #schol_ar @M2d2Team @MaximeMARIA @LeCnam @gemellyn @sguionni

[antisense. @razoralign]

DeEPsnap: human essential gene prediction by integrating multi-omics data https://t.co/BvtIjBuzje

[Ariane Nunes Alves @anunesalves]

I will offer an online course in August 2024, applied machine learning in chemistry.
If you are interested, please see more information and fill the form here:
https://t.co/r48yGRHU2M

[Lionel Colliandre @LColliandre]

@sebfiorucci @Univ_CotedAzur @rgerkin @OdorSciences @NiceChemistry Any possibility to follow the seminar at distance?

[Pôle de recherche Biologie-Santé @PoleBioSante]

Cryo-EMontpellier symposium
September, 11th 2024 - Institut de Botanique
We are honoured to welcome the Nobel prize of Chemistry 2017 laureate Dr Richard Henderson who will give a plenary lecture
Abstract, registration & program: https://t.co/NXFrqqvJOB
@umontpellier

[Chris Swain @macinchem]

AlphaFold 3 is out but... https://t.co/QvWpjE2KId #ArtificialIntelligence #proteinstructure
#compchem

[Chris Swain @macinchem]

rdEditor an RDKit molecular editor https://t.co/71f1vGLzn2

[RESMOL @RESMOL_UAH]

We are looking for a motivated PhD student in the field of computational chemistry.

Application deadline: May 31, 2024
Funding: University program promoting research excellence (FPU-EXCELENCIA).
Duration: 3 years, with extension to a fourth year.

Contact: [email protected]

[Evotec @Evotec]

We have given our website a reset to better focus on our strengths in our amazing people and their passion for innovative science. All in support of our purpose – Together For Medicines That Matter. ​Check it out here- https://t.co/xTrJMrgStv