Save the date! Next year's European #RDKit UGM will take place from 16-18 September in Darmstadt, Germany.
Pre-registration will open in early 2026.
21.10.2025 15:25
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Save the date! Next year's European #RDKit UGM will take place from 16-18 September in Darmstadt, Germany.
Pre-registration will open in early 2026.
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 first #RDKit blog post of the year is a short one showing how to change the ways atoms and bonds are represented in fingerprints.
greglandrum.github.io/rdkit-blog/p...
Open #postdoc position in *Organic/Medicinal Chemistry* for generative #AI in Drug Discovery — join us @tueindhoven.bsky.social 💪🏻
Funded by the European Research Council (ERC).
Deadline: Jan 15, 25
jobs.tue.nl/nl/vacature/...
Repost appreciated!
Excellent new paper (with code) by my former colleagues Steven Kearnes and Patrick Riley describing a procedure for associating confidence levels with regression model predictions in drug discovery. pubs.acs.org/doi/10.1021/...
There's a new #RDKit blog post introducing some new functionality that I'm really excited about: doing efficient substructure and similarity searches in very large chemical libraries:
greglandrum.github.io/rdkit-blog/p...
#ChemSky
Hello people! Get to know us a bit better, here’s our Polaris profile 🙂
Access drug discovery datasets and benchmarks today: polarishub.io
Please add me 🙏
Can you add me as well? 🙏