Günter Klambauer
@gklambauer.bsky.social
Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Thanks for more than 1000 visits to the leaderboard in the last 2 days!
YOU THINK YOU HAVE A BETTER MODEL?? GREAT! Training models on the Tox21 Challenge dataset can be done on a laptop-GPU.
Submit your model to the leaderboard! Click SUBMIT here: huggingface.co/spaces/ml-jk...
YOU THINK YOU HAVE A BETTER MODEL?? GREAT! Training models on the Tox21 Challenge dataset can be done on a laptop-GPU.
Submit your model to the leaderboard! Click SUBMIT here: huggingface.co/spaces/ml-jk...
November 21, 2025 at 8:53 AM
Thanks for more than 1000 visits to the leaderboard in the last 2 days!
YOU THINK YOU HAVE A BETTER MODEL?? GREAT! Training models on the Tox21 Challenge dataset can be done on a laptop-GPU.
Submit your model to the leaderboard! Click SUBMIT here: huggingface.co/spaces/ml-jk...
YOU THINK YOU HAVE A BETTER MODEL?? GREAT! Training models on the Tox21 Challenge dataset can be done on a laptop-GPU.
Submit your model to the leaderboard! Click SUBMIT here: huggingface.co/spaces/ml-jk...
AI is hitting a wall in drug discovery!
Here is the wall you were all looking for...
huggingface.co/spaces/ml-jk...
Here is the wall you were all looking for...
huggingface.co/spaces/ml-jk...
November 19, 2025 at 12:38 PM
AI is hitting a wall in drug discovery!
Here is the wall you were all looking for...
huggingface.co/spaces/ml-jk...
Here is the wall you were all looking for...
huggingface.co/spaces/ml-jk...
Measuring AI Progress in Drug Discovery - A NEW LEADERBOARD IN TOWN
2015-2025: turns out that there's hardly any improvement. AI bubble?
GPT is at 70% for this task, whereas the best methods get close to 85%.
Leaderboard: huggingface.co/spaces/ml-jk...
P: arxiv.org/abs/2511.14744
2015-2025: turns out that there's hardly any improvement. AI bubble?
GPT is at 70% for this task, whereas the best methods get close to 85%.
Leaderboard: huggingface.co/spaces/ml-jk...
P: arxiv.org/abs/2511.14744
November 19, 2025 at 6:52 AM
Measuring AI Progress in Drug Discovery - A NEW LEADERBOARD IN TOWN
2015-2025: turns out that there's hardly any improvement. AI bubble?
GPT is at 70% for this task, whereas the best methods get close to 85%.
Leaderboard: huggingface.co/spaces/ml-jk...
P: arxiv.org/abs/2511.14744
2015-2025: turns out that there's hardly any improvement. AI bubble?
GPT is at 70% for this task, whereas the best methods get close to 85%.
Leaderboard: huggingface.co/spaces/ml-jk...
P: arxiv.org/abs/2511.14744
List of accepted contributions now online: moleculediscovery.github.io/workshop2025/
November 17, 2025 at 3:50 PM
List of accepted contributions now online: moleculediscovery.github.io/workshop2025/
Roughly 50% of the tickets already gone...
ELLIS ML4Molecules Workshop 2025: Registration for virtual participation now open!!!
Only 500 tickets available which usually are gone fast!!
Register now: www.eventbrite.com/e/ellis-mach...
Only 500 tickets available which usually are gone fast!!
Register now: www.eventbrite.com/e/ellis-mach...
ELLIS Machine Learning for Molecules Workshop 2025 - Virtual participation
Workshop on generative Models, LLMs, and the Future of Molecular AI. For details, see: https://moleculediscovery.github.io/workshop2025/
www.eventbrite.com
November 14, 2025 at 12:33 PM
Roughly 50% of the tickets already gone...
Reposted by Günter Klambauer
Hab mir einen Mahrer Tracker gebaut. Spannend zu sehen, wie schnell Print-Medien auf ihren Online-Portalen auf Dinge wie ein ZIB 2 Interview reagieren und wie sich die Inhalte dabei unterscheiden.
November 13, 2025 at 9:54 AM
Hab mir einen Mahrer Tracker gebaut. Spannend zu sehen, wie schnell Print-Medien auf ihren Online-Portalen auf Dinge wie ein ZIB 2 Interview reagieren und wie sich die Inhalte dabei unterscheiden.
ELLIS ML4Molecules Workshop 2025: Registration for virtual participation now open!!!
Only 500 tickets available which usually are gone fast!!
Register now: www.eventbrite.com/e/ellis-mach...
Only 500 tickets available which usually are gone fast!!
Register now: www.eventbrite.com/e/ellis-mach...
ELLIS Machine Learning for Molecules Workshop 2025 - Virtual participation
Workshop on generative Models, LLMs, and the Future of Molecular AI. For details, see: https://moleculediscovery.github.io/workshop2025/
www.eventbrite.com
November 13, 2025 at 6:49 AM
ELLIS ML4Molecules Workshop 2025: Registration for virtual participation now open!!!
Only 500 tickets available which usually are gone fast!!
Register now: www.eventbrite.com/e/ellis-mach...
Only 500 tickets available which usually are gone fast!!
Register now: www.eventbrite.com/e/ellis-mach...
Speaker 4 at ELLIS ML4Molecules 2025: Nadine Schneider
Early works on ML methods for chemical reactions. Introduced the FS-Mol datasets for few-shot learning for molecules. Director of the ELLIS ML for Molecules Discovery program.
Join the workshop: moleculediscovery.github.io/workshop2025/
Early works on ML methods for chemical reactions. Introduced the FS-Mol datasets for few-shot learning for molecules. Director of the ELLIS ML for Molecules Discovery program.
Join the workshop: moleculediscovery.github.io/workshop2025/
November 13, 2025 at 6:46 AM
Speaker 4 at ELLIS ML4Molecules 2025: Nadine Schneider
Early works on ML methods for chemical reactions. Introduced the FS-Mol datasets for few-shot learning for molecules. Director of the ELLIS ML for Molecules Discovery program.
Join the workshop: moleculediscovery.github.io/workshop2025/
Early works on ML methods for chemical reactions. Introduced the FS-Mol datasets for few-shot learning for molecules. Director of the ELLIS ML for Molecules Discovery program.
Join the workshop: moleculediscovery.github.io/workshop2025/
Invited speaker 3 at #ML4Molecules2025: Daniel Probst ( @skepteis.bsky.social ).
He is known for his works on exploring chemical spaces, fingerprints, language models,... and some unconventional ideas like learning on gzip compressed data.
Join: moleculediscovery.github.io/workshop2025/
He is known for his works on exploring chemical spaces, fingerprints, language models,... and some unconventional ideas like learning on gzip compressed data.
Join: moleculediscovery.github.io/workshop2025/
November 12, 2025 at 7:46 AM
Invited speaker 3 at #ML4Molecules2025: Daniel Probst ( @skepteis.bsky.social ).
He is known for his works on exploring chemical spaces, fingerprints, language models,... and some unconventional ideas like learning on gzip compressed data.
Join: moleculediscovery.github.io/workshop2025/
He is known for his works on exploring chemical spaces, fingerprints, language models,... and some unconventional ideas like learning on gzip compressed data.
Join: moleculediscovery.github.io/workshop2025/
@marwinsegler.bsky.social will talk about "Deep Learning for Molecules: The First Decade" at #ML4Molecules2025
In pioneering work, he introduced a "small LLM" for generating SMILES strings back in 2016/17. Chemical synthesis prediction with MCTS; ...
Join: moleculediscovery.github.io/workshop2025/
In pioneering work, he introduced a "small LLM" for generating SMILES strings back in 2016/17. Chemical synthesis prediction with MCTS; ...
Join: moleculediscovery.github.io/workshop2025/
November 10, 2025 at 6:32 AM
@marwinsegler.bsky.social will talk about "Deep Learning for Molecules: The First Decade" at #ML4Molecules2025
In pioneering work, he introduced a "small LLM" for generating SMILES strings back in 2016/17. Chemical synthesis prediction with MCTS; ...
Join: moleculediscovery.github.io/workshop2025/
In pioneering work, he introduced a "small LLM" for generating SMILES strings back in 2016/17. Chemical synthesis prediction with MCTS; ...
Join: moleculediscovery.github.io/workshop2025/
Reposted by Günter Klambauer
(I/III) We're excited to announce a new tenure track opening! The position is called 'quantum informatics' and is affiliated with our QUICK group within the CS+AI division at @jku.at 🇦🇹. Application deadline is November 30th, 2025: www.jku.at/en/the-jku/w...
October 21, 2025 at 1:47 PM
(I/III) We're excited to announce a new tenure track opening! The position is called 'quantum informatics' and is affiliated with our QUICK group within the CS+AI division at @jku.at 🇦🇹. Application deadline is November 30th, 2025: www.jku.at/en/the-jku/w...
Celebrating 4,000 citations!
Thanks to everyone who successfully used self-normalizing networks!!!
Thanks to everyone who successfully used self-normalizing networks!!!
October 21, 2025 at 10:50 AM
Celebrating 4,000 citations!
Thanks to everyone who successfully used self-normalizing networks!!!
Thanks to everyone who successfully used self-normalizing networks!!!
Deadline extended to October 15th!
PAPER/ABSTRACT DEADLINE ALREADY END OF THIS WEEK!
ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/
DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/
DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
October 10, 2025 at 5:42 AM
Deadline extended to October 15th!
PAPER/ABSTRACT DEADLINE ALREADY END OF THIS WEEK!
ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/
DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/
DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
October 7, 2025 at 8:48 AM
PAPER/ABSTRACT DEADLINE ALREADY END OF THIS WEEK!
ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/
DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
ELLIS Machine Learning for Molecules workshop: moleculediscovery.github.io/workshop2025/
DON'T MISS THE DEADLINE: short papers or extended abstracts welcome!
ELLIS ML4Molecules workshop 2025
** Call for papers** is out: moleculediscovery.github.io/workshop2025/
** Call for papers** is out: moleculediscovery.github.io/workshop2025/
September 29, 2025 at 3:54 PM
ELLIS ML4Molecules workshop 2025
** Call for papers** is out: moleculediscovery.github.io/workshop2025/
** Call for papers** is out: moleculediscovery.github.io/workshop2025/
Is Bluesky the actual dead Internet??
September 24, 2025 at 4:23 AM
Is Bluesky the actual dead Internet??
It's happening again!!!
ML4Molecules workshop 2025.
within the #ELLIS Unconference, preceding #EurIPS.
More infos: moleculediscovery.github.io/workshop2025/
ML4Molecules workshop 2025.
within the #ELLIS Unconference, preceding #EurIPS.
More infos: moleculediscovery.github.io/workshop2025/
September 23, 2025 at 6:12 AM
It's happening again!!!
ML4Molecules workshop 2025.
within the #ELLIS Unconference, preceding #EurIPS.
More infos: moleculediscovery.github.io/workshop2025/
ML4Molecules workshop 2025.
within the #ELLIS Unconference, preceding #EurIPS.
More infos: moleculediscovery.github.io/workshop2025/
Happy that IBM uses proper MLPs, i.e. self-normalizing networks, in their Flowstate model! ;)
P: arxiv.org/abs/2508.05287
P: arxiv.org/abs/2508.05287
September 17, 2025 at 9:20 AM
Happy that IBM uses proper MLPs, i.e. self-normalizing networks, in their Flowstate model! ;)
P: arxiv.org/abs/2508.05287
P: arxiv.org/abs/2508.05287
Another win for xLSTM
xLSTM shines as an Electrocardiogram (ECG) foundation model: arxiv.org/abs/2509.10151
"xECG achieves superior performance over earlier approaches, defining a new baseline for future ECG foundation models."
xLSTM is perfectly suited for time series prediction as shown by TiRex.
"xECG achieves superior performance over earlier approaches, defining a new baseline for future ECG foundation models."
xLSTM is perfectly suited for time series prediction as shown by TiRex.
September 16, 2025 at 6:48 AM
Another win for xLSTM
It just struck me that the ancient Greeks chose their twelve Olympian gods with gender parity..
September 16, 2025 at 6:48 AM
It just struck me that the ancient Greeks chose their twelve Olympian gods with gender parity..
We Austrians are fully aware that we are a democratic country now, but we still sneak in pictures of our monarchs... :)
@aithyra.bsky.social Symposium #AIforLifeScience: From Sequences to Structures — Al and the Protein Universe
September 8, 2025 at 2:05 PM
We Austrians are fully aware that we are a democratic country now, but we still sneak in pictures of our monarchs... :)
Controversial posts are downranked on Blue sky????
Oh c'mon...
Oh c'mon...
Devastating blow for GNNs/MPNNs for chemistry and small molecules:
All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;)
P: arxiv.org/abs/2508.06199
All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;)
P: arxiv.org/abs/2508.06199
August 13, 2025 at 9:15 AM
Controversial posts are downranked on Blue sky????
Oh c'mon...
Oh c'mon...
Machine Learning-Driven Optimization of Specific, Compact, and Efficient Base Editors via Single-Round Diversification
New base editors designed and optimized with ML! Almost all ML-designed ones active in the lab tests!!
P: www.biorxiv.org/content/10.1...
New base editors designed and optimized with ML! Almost all ML-designed ones active in the lab tests!!
P: www.biorxiv.org/content/10.1...
August 12, 2025 at 9:54 AM
Machine Learning-Driven Optimization of Specific, Compact, and Efficient Base Editors via Single-Round Diversification
New base editors designed and optimized with ML! Almost all ML-designed ones active in the lab tests!!
P: www.biorxiv.org/content/10.1...
New base editors designed and optimized with ML! Almost all ML-designed ones active in the lab tests!!
P: www.biorxiv.org/content/10.1...
Devastating blow for GNNs/MPNNs for chemistry and small molecules:
All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;)
P: arxiv.org/abs/2508.06199
All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;)
P: arxiv.org/abs/2508.06199
August 11, 2025 at 3:31 PM
Devastating blow for GNNs/MPNNs for chemistry and small molecules:
All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;)
P: arxiv.org/abs/2508.06199
All of them are not statistically better than simple ECFP . Only our CLAMP model does the job ;)
P: arxiv.org/abs/2508.06199
Just in: GPT-5 achieves AGI in chemical sciences!!1!!1!
Actually, NO! .... struggles with generating 2D graphs from SMILES.
Actually, NO! .... struggles with generating 2D graphs from SMILES.
August 11, 2025 at 5:37 AM
Just in: GPT-5 achieves AGI in chemical sciences!!1!!1!
Actually, NO! .... struggles with generating 2D graphs from SMILES.
Actually, NO! .... struggles with generating 2D graphs from SMILES.