Come 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.

MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery Today’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,...

Need 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...

The 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/