Results 61 to 70 of about 21,145 (116)

Machine Learning Force Fields in Electrochemistry: From Fundamentals to Applications. [PDF]

ACS Nano
Jinnouchi R, Minami S.
europepmc   +1 more source

On Globalized Traces for the Poisson Sigma Model. [PDF]

Commun Math Phys, 2022
Moshayedi N.
europepmc   +1 more source

SuperMetal: a generative AI framework for rapid and precise metal ion location prediction in proteins. [PDF]

J Cheminform
Lin X, Su Z, Liu YL, Liu J, Kuang X, Cummings PT, Spencer-Smith J, Meiler J.   +7 more
europepmc   +1 more source

Machine learning prediction of acute toxicity with <i>in vivo</i> experiments on tetrazole derivatives. [PDF]

RSC Med Chem
Zarezin DP, Shtil AA, Nenajdenko VG, Borisevich SS.   +3 more
europepmc   +1 more source

Mixed Hodge structures on character varieties of nilpotent groups. [PDF]

Rev Mat Complut
Florentino C, Lawton S, Silva J.
europepmc   +1 more source

SE(3)-equivariant ternary complex prediction towards target protein degradation. [PDF]

Nat Commun
Xue F, Zhang M, Li S, Gao X, Wohlschlegel JA, Huang W, Yang Y, Deng W.   +7 more
europepmc   +1 more source

Equivariant multiplicities via representations of quantum affine algebras. [PDF]

Sel Math New Ser, 2023
Casbi E, Li JR.
europepmc   +1 more source

Machine learning and data-driven methods in computational surface and interface science. [PDF]

NPJ Comput Mater
Hörmann L, Stark WG, Maurer RJ.
europepmc   +1 more source

Characterizing barren plateaus in quantum ansätze with the adjoint representation. [PDF]

Nat Commun
Fontana E, Herman D, Chakrabarti S, Kumar N, Yalovetzky R, Heredge J, Sureshbabu SH, Pistoia M.   +7 more
europepmc   +1 more source

In-silico 3D molecular editing through physics-informed and preference-aligned generative foundation models. [PDF]

Nat Commun
Lin X, Xia Y, Li Y, Huang YP, Liu S, Zhang J, Gao YQ.   +6 more
europepmc   +1 more source