schimunek.bsky.social @schimunek.bsky.social · 19/11/2025Come and evaluate your model on the Tox21 leaderboard on Hugging Face! As a nice side benefit, your model becomes visible and easily accessible to the community — all through our FastAPI template. 000
schimunek.bsky.social @schimunek.bsky.social · 13/05/2025Need to predict bioactivity 🧪 but only have limited data ❌? Try our interactive app for prompting MHNfs — a state-of-the-art model for few-shot molecule–property prediction. No coding or training needed. 🚀 📄 Paper: pubs.acs.org/doi/10.1021/... 🖥️ App: huggingface.co/spaces/ml-jk...pubs.acs.orgMHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug DiscoveryToday’s drug discovery increasingly relies on computational and machine learning approaches to identify novel candidates, yet data scarcity remains a significant challenge. To address this limitation,... 075
Reposted by @schimunek.bsky.socialGünter Klambauer @gklambauer.bsky.social · 03/12/2024The Machine Learning for Molecules workshop 2024 will take place THIS FRIDAY, December 6. Tickets for in-person participation are "SOLD" OUT. We still have a few free tickets for online/virtual participation! Registration link here: moleculediscovery.github.io/workshop2024/moleculediscovery.github.ioML for molecules and materials in the era of LLMs [ML4Molecules]ELLIS workshop, HYBRID, December 6, 2024 01914
