5 citations · 6 across the 5 of their papers we have counts for
5 papers
SeedER: Seed-Expand-Retrieve for Efficient Knowledge Graph Retrieval
Hamed Shirzad, Frederik Wenkel, Dominique Beaini +2
Knowledge graphs (KGs) offer a rich representation for relational knowledge, but their irregular structure makes retrieval challenging: ego-graph expansion grows rapidly, and dense…
Towards Autonomous Mechanistic Reasoning in Virtual Cells
Yunhui Jang, Lu Zhu, Jake Fawkes +3
Large language models (LLMs) have recently gained significant attention as a promising approach to accelerate scientific discovery. However, their application in open-ended scienti…
Virtual Cells: Predict, Explain, Discover
Emmanuel Noutahi, Jason Hartford, Prudencio Tossou +12
Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from computational models that can reliably simu…
Role of Structural and Conformational Diversity for Machine Learning Potentials
Nikhil Shenoy, Prudencio Tossou, Emmanuel Noutahi +3
In the field of Machine Learning Interatomic Potentials (MLIPs), understanding the intricate relationship between data biases, specifically conformational and structural diversity,…
Gotta be SAFE: A New Framework for Molecular Design
Emmanuel Noutahi, Cristian Gabellini, Michael Craig +2
Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures.…