Hello from Singapore 🇸🇬! Thrilled to be at #ICLR2025 presenting our work on fragment-based drug discovery 🧩. We go beyond virtual screening with a generative, structure-aware approach.
📃 openreview.net/forum?id=bZW...
🔗 github.com/rneeser/Late...
A thread 🧵👇
openreview.net
Flow-Based Fragment Identification via Contrastive Learning of...
Fragment-based drug design is a promising strategy leveraging the binding of individual fragments, potentially yielding ligands with multiple key interactions, surpassing the efficiency of full...
