5 citations · 6 across the 5 of their papers we have counts for
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physics.chem-ph2023★ 1 cited
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,…
cs.LG2023
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.…