Tag: representation

Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials
Machine Learning

Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials

April 24, 2025
admin

Bartlett, R. J. & Musiał, M. Coupled-cluster theory in quantum chemistry. Rev. Mod. Phys. 79, 291–352…

Continue Reading
Leveraging ancestral sequence reconstruction for protein representation learning
Machine Learning

Leveraging ancestral sequence reconstruction for protein representation learning

December 24, 2024
admin

Elnaggar, A. et al. ProtTrans: toward understanding the language of life through self-supervised learning. IEEE Trans.…

Continue Reading