Peter Hartog

PhD Candidate TUM/AstraZeneca - "One Chemistry: Unified and interpretable deep neural networks model for drug discovery" @AiddOne @HorizonEU

[JCIM & JCTC Journals @JCIM_JCTC]

Investigations into the Efficiency of Computer-Aided Synthesis Planning
https://t.co/UWH6SJOSAn
@PBRHartog
#JCIM Vol65 Issue4 #MachineLearning #DeepLearning

[Francesca Grisoni @fra_grisoni]

Finally, officially open!

Open #postdoc position in Organic/Medicinal Chemistry for generative #AI in Drug Discovery — join us @molecularML @TUeindhoven 💪🏻

Funded by @ERC_Research
Deadline: Jan 15, 25

More info below👇
https://t.co/a65GM3UX8T

Repost appreciated! 🔃

[Peter Hartog @PBRHartog]

Our research on test-time augmentation in Explainable AI for toxicity prediction was accepted by the Journal of Cheminformatics last month! 🚀 Read more about our investigations into XAI here: https://t.co/qgdVYnuF6B #XAI #ML @AiddOne

[Peter Hartog @PBRHartog]

Excited to share our recent publication! Andrea Hunklinger worked on an ensembling model during their BSc thesis for the Kaggle EUOS/SLAS compound solubility challenge and our methods were chosen as the winning solution. @AiddOne #SLASS Read more here: https://t.co/qjfQKXEfQp

[Peter Hartog @PBRHartog]

🧬 Unveiling the power of test-time augmentation to explore Explainable AI! 🚀 Our latest research delves into the intriguing inconsistencies between method, model, and human intuition in toxicity prediction. Dive into the details: https://t.co/ZxgIAIJJf0 #XAI #MachineLearning🔍

[Günter Klambauer @gklambauer]

🔬A “Google” for microscopy images and molecules🔬

Given an image of cells treated with a molecule, CLOOME can correctly identify this molecule – a task considered impossible even for human experts!

Work by @ana_sanchezf of @AiddOne.

Paper: https://t.co/QLwSWWBKgk

[Tom Viering @ ICML @TViering]

I am hiring a PhD student. The topic will be related to deep meta-learning on learning curves. You can apply here:

https://t.co/VdePRTRYB4

[https://bsky.app/profile/aichemist.bsky.social @AiChemist_DN]

The AiChemist project has officially started! This boundary-pushing #phd programme brings together experts in #AI, #chemoinformatics and #chemistry from #academia and #pharma to train future #XAI specialists in the life sciences. https://t.co/kZEb1HarsI --> apply until 10.09!

[https://bsky.app/profile/aidd.bsky.social @AiddOne]

@PTorrenPeraire
presents her work "Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning" at the ACS meeting in San Francisco @AmerChemSociety

[CompSurfChem@Warwick @compsurfchem]

3-year PostDoc position available in the group
Looking for candidates interested in any of the following:
electronic structure theory for interfaces, nonadiabatic dynamics in materials, machine learning in chemistry/physics
https://t.co/rYiadpA7Tt…
deadline: 5.9.
#compchem

[https://bsky.app/profile/aichemist.bsky.social @AiChemist_DN]

Are you a scientist ready to ride the 3rd wave of #AI? Excited by the potential impacts that #XAI is poised to make in #chemistry and #drugdiscovery?
We have 14 open PhD positions within the AiChemist Project: https://t.co/kZEb1HaZig. Apply now!

[Noelia Ferruz @ferruz_noelia]

📢Job Alert!

We have an open MSCA Industrial PhD position to start this fall for the AI-driven design and explainability of new-to-nature enzymes.

The candidate will be co-supervised by our lab at @IBMB_CSIC and @Bayer in Berlin. See more details below.

Please RT 😊!

[Francesca Grisoni @fra_grisoni]

Are you interested in how #XAI & chemical #languagemodels can propel multi-target drug design?

Don’t miss out on this opportunity! 🎯

Apply to the open #PhD position in the exciting @AiChemist_DN – funded by
@MSCActions✨

You will join forces with us
@molecularML & @sanofi!💪🏻

[Cristina Viéitez (@crisvieitez.bsky.social) @Cris_Vieitez]

We are looking for a #PhD candidate! Are you interested in #chromatin and want to combine high-throughput methods & molecular biology to understand how histone #PTMs regulate chromatin functions using #yeast? 👩‍🔬🧑‍���🧫🧬 Contact us 👇Please spread the word!

[Peter Hartog @PBRHartog]

It has already been a month since I joined @AstraZeneca, looking forward to thr amazing collaborations with the team

[Günter Klambauer @gklambauer]

OPEN POSITIONS!

We have open positions for PhD students and PostDocs at my lab both in core machine learning as well as in "Machine Learning in Life Sciences":

https://t.co/uwFjGT2OwD

[Giacomo Tarroni @g_tarroni]

I am looking for a PhD candidate to work on "Learning from medical images with noisy labels"!

Highly competitive bursary and affiliation to our growing @Cit_AI1 centre at @CityUniLondon. Closing date: 31 May. Reach out if interested and please share with your networks!

[Yasmine Nahal @nahal_yasmine]

@AiddOne fellows attending #BAYESCOMP2023!
It was such a great opportunity to learn more about the field of Bayesian and probabilistic modeling in the very nice Lapland atmosphere! #aidd