Nils Weskamp
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nilsweskamp.bsky.social
Nils Weskamp
@nilsweskamp.bsky.social
200 followers 710 following 21 posts
Teaching computers chemistry. Helping data sets with people problems. Sailing the sea. Opinions my own.
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Reposted by Nils Weskamp
aithyra.bsky.social
We are excited to share with you the updated program of the Aithyra Symposium "AI for Life Science", 8-10 September 2025 in Vienna, now also featuring Nobel Laureate Frances H. Arnold as keynote speaker.

Registration is open under the following link
cemm.at/aithyra-symp...
July 24, 2025 at 3:58 PM
Reposted by Nils Weskamp
aithyra.bsky.social
Apply for the AITHYRA-CeMM International PhD Program!

15-20 fully funded PhD fellowships available in Vienna, AT
in AI/ML and Life Sciences

Deadline for applications:
10 September 2025 apply.cemm.at
July 25, 2025 at 10:27 AM
nilsweskamp.bsky.social
Are you a PhD student in Chemistry & want to

👉Gain insights into drug discovery & development
👉Discuss your research with experts
👉Get a behind-the-scenes look at our research facilities

Travel & accommodation will be covered. Apply at
jobs.boehringer-ingelheim.com/job/Biberach...

#ChemSky
PhD Course in Medicinal and Process Chemistry
PhD Course in Medicinal and Process Chemistry
jobs.boehringer-ingelheim.com
May 5, 2025 at 10:00 AM
Reposted by Nils Weskamp
mmbronstein.bsky.social
Join us in Vienna on Sep 8-10 with an incredible speaker lineup!
aithyra.bsky.social AITHYRA Research Institute of the Austrian Academy of Sciences @aithyra.bsky.social · May 2
Please save-the-date for the #AITHYRA Symposium “AI for Life Science”, which will take place in Vienna at the House of Industry from 8-10 September 2025. Great speakers, interesting framework programme and beautiful location. Registration will open mid May. More info: www.oeaw.ac.at/aithyra/news...
May 3, 2025 at 10:56 AM
Reposted by Nils Weskamp
mmbronstein.bsky.social
Next week we will be at ICLR in Singapore, presenting 8 papers in the main conference as well as in multiple workshops. For anyone interested, I will be glad to talk about PI positions at Aithyra (spoiler: we offer some of the best conditions in Europe)
April 14, 2025 at 11:16 AM
nilsweskamp.bsky.social
Are you a passionate drug hunter and an inspirational leader with a background in computational chemistry? So you want to make a difference in cancer research?

Then this could be for you: jobs.boehringer-ingelheim.com/job/Vienna-S...

#ChemJobs #EuChemJobs #ChemSky #CompChem
Scientific Director Computational Chemistry (m/f/d)
Scientific Director Computational Chemistry (m/f/d)
jobs.boehringer-ingelheim.com
April 8, 2025 at 5:51 AM
nilsweskamp.bsky.social
How would you leverage AI/ML techniques to create and integrate 3D-generative models with potency predictions in drug design?

We have an open PostDoc position in this field and would love to see you application!

#ChemSky #ChemJobs #PostDoc

www.opnme.com/opn2talents/...
www.opnme.com
March 31, 2025 at 8:00 AM
nilsweskamp.bsky.social
Integrating AI/ML-based approaches with mechanistic modelling has lot of potential for molecule design in drug discovery. Happy to see this published!

doi.org/10.1111/cts....

#ChemSky #MedSky
Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK‐Based Approaches
A successful drug needs to combine several properties including high potency and good pharmacokinetic (PK) properties to sustain efficacious plasma concentration over time. To estimate required doses...
doi.org
March 27, 2025 at 10:09 AM
nilsweskamp.bsky.social
We are searching for PostDocs! If you are interested in Bayesian optimization, generative AI & lab automation, please take a look!

jobs.boehringer-ingelheim.com/job/Ingelhei...
jobs.boehringer-ingelheim.com/job/Ingelhei...
jobs.boehringer-ingelheim.com/job/Ingelhei...

#chemjobs #postdoc #chemsky
Post Doc - Machine Learning
Post Doc - Machine Learning
jobs.boehringer-ingelheim.com
March 26, 2025 at 9:53 AM
nilsweskamp.bsky.social
Come work with my amazing colleague Xavier Barril and help us design great molecules!

#chemsky #chemjobs #compchem #euchemjobs

jobs.boehringer-ingelheim.com/job/Biberach...
Senior / Principal Scientist Computational Chemistry
Senior / Principal Scientist Computational Chemistry
jobs.boehringer-ingelheim.com
March 14, 2025 at 3:18 PM
nilsweskamp.bsky.social
We are searching for an experienced leader in Medicinal Chemisty! Are you ready to take over the responsibility for a group of scientists, their labs and a portfolio of projects in Immunology and Respiratory?

jobs.boehringer-ingelheim.com/job/Biberach...

#chemjobs #chemsky #euchemjobs
Associate Director - Global Medicinal Chemistry
Associate Director - Global Medicinal Chemistry
jobs.boehringer-ingelheim.com
March 13, 2025 at 3:45 PM
nilsweskamp.bsky.social
We are searching for an experienced Medicinal Chemist in Biberach, Germany. The position is located in a small, agile team focusing on Animal Health (as part of a larger MedChem department).

You might have to listen to my synthesis ideas. 😀

#ChemSky

jobs.boehringer-ingelheim.com/job/Biberach...
Principal Scientist - Medicinal Chemistry Animal Health
Principal Scientist - Medicinal Chemistry Animal Health
jobs.boehringer-ingelheim.com
March 3, 2025 at 8:45 AM
Reposted by Nils Weskamp
polarishub.io
Today, we’re excited to welcome Nicola Richmond (@recursionpharma.bsky.social), Michael Reutlinger (Roche), and Nils Weskamp (@boehringerglobal.bsky.social) to the Small Molecule Steering Committee at Polaris!

Learn more about what the steering committee is up to: polarishub.io/guidelines
February 20, 2025 at 6:09 PM
Reposted by Nils Weskamp
hol9000.bsky.social
Looking for a #datascience / #drugdiscovery #postdoc on the interface between academia and industry? Check this out: ventures.yale.edu/news/applica...
Applications Open for Expanded Yale-Boehringer Ingelheim Biomedical Data Science Fellowship Program | Yale Ventures
ventures.yale.edu
February 18, 2025 at 6:56 AM
Reposted by Nils Weskamp
hol9000.bsky.social
A few job openings in the CompBio and Digital Sciences Department at Boehringer:
* Omics Engineering (Biberach/South of Germany) - jobs.boehringer-ingelheim.com/job/Biberach...
* Senior Data Scientist (Biberach/South of Germany) - jobs.boehringer-ingelheim.com/job/Biberach...
Senior / Principal Scientist - Omics Engineering
Senior / Principal Scientist - Omics Engineering
jobs.boehringer-ingelheim.com
February 14, 2025 at 11:26 AM
Reposted by Nils Weskamp
philbiggin.bsky.social
Very nice to see the work of Matt Warren and Isak Valsson just out with Charlotte Deane, Aniket Magarkar and @garrettmm.bsky.social where we show how augementation can dramatically improve ML affinity predictions to close to FEP accuracy.

rdcu.be/d88Wm
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
Communications Chemistry - Machine learning offers great promise for fast and accurate binding affinity predictions, however, current models lack robust evaluation and fail on tasks encountered in...
rdcu.be
February 8, 2025 at 8:12 PM
nilsweskamp.bsky.social
"Drug discovery & development continues to be challenging, and despite a desire to find short cuts, guides, mnemonics, and simple predictive parameters as surrogates for clinical success, we must continue to critically assess how useful these methods are."

www.nature.com/articles/s41...

#ChemSky
Return to Flatland - Nature Reviews Chemistry
Fifteen years ago, an analysis of drug molecules moving through the stages of clinical development suggested that increased three-dimensional character was a marker of greater success. Now, we perform...
www.nature.com
February 5, 2025 at 10:02 AM
Reposted by Nils Weskamp
fragrisoni.bsky.social
If you use generative #DeepLearning for molecule design, check out our latest work, where we perform a large scale analysis (~1 B designs!) and find ‘traps’, ‘treasures’ and ‘ways out’ in the jungle of generative drug discovery.
🌴 🐒

Paper: arxiv.org/abs/2501.05457
Code: github.com/molML/jungle...
The Jungle of Generative Drug Discovery: Traps, Treasures, and Ways Out
"How to evaluate de novo designs proposed by a generative model?" Despite the transformative potential of generative deep learning in drug discovery, this seemingly simple question has no clear answer...
arxiv.org
January 14, 2025 at 8:29 PM
nilsweskamp.bsky.social
To augment human intelligence with digital tools, we must understand what the human brain is great at and where it has limitations. This paper estimates that human behavior happens at 10 bits per second, so processing information at scale should be on the list: www.sciencedirect.com/science/arti...
The unbearable slowness of being: Why do we live at 10 bits/s?
This article is about the neural conundrum behind the slowness of human behavior. The information throughput of a human being is about 10 bits/s. In c…
www.sciencedirect.com
December 30, 2024 at 2:37 PM
nilsweskamp.bsky.social
Online Symposium on Molecular Machine Learning on January 16th, organized by the Glorius Group at @unimuenster.bsky.social - with @fjduarte.bsky.social, @kulikgroup.bsky.social, Bingqing Cheng, Matthew Sigman: www.uni-muenster.de/Chemie.oc/gl.... Registration is free and highly recommended!
December 17, 2024 at 3:48 PM
nilsweskamp.bsky.social
Before you put your next presentation together, you should have a look at this classic paper. If you want the audience to remember what you said, it has to be a story.

#Storytelling #ScienceCommunication

link.springer.com/article/10.3...
Narrative stories as mediators for serial learning - Psychonomic Science
Subjects learned 12 serial lists of 10 nouns by one of two methods: a control method of normal study and rehearsal, or a narrative-chaining method, where S was instructed to construct a meaningful sto...
link.springer.com
December 15, 2024 at 9:04 PM