Results 71 to 80 of about 21,145 (116)

Structure-based drug design with equivariant diffusion models. [PDF]

open access: yesNat Comput Sci
Schneuing A   +12 more
europepmc   +1 more source

Ruijsenaars wavefunctions as modular group matrix coefficients. [PDF]

open access: yesLett Math Phys
Di Francesco P   +4 more
europepmc   +1 more source

Structured Dynamics in the Algorithmic Agent. [PDF]

open access: yesEntropy (Basel)
Ruffini G, Castaldo F, Vohryzek J.
europepmc   +1 more source

Analytical ab initio hessian from a deep learning potential for transition state optimization. [PDF]

open access: yesNat Commun
Yuan EC   +7 more
europepmc   +1 more source

On Hodge polynomials for nonalgebraic complex manifolds. [PDF]

open access: yesProc Natl Acad Sci U S A
Katzarkov L   +3 more
europepmc   +1 more source

Annealed fractional Lévy-Itō diffusion models for protein generation. [PDF]

open access: yesComput Struct Biotechnol J
Paquet E   +3 more
europepmc   +1 more source

Analyzing Atomic Interactions in Molecules as Learned by Neural Networks. [PDF]

open access: yesJ Chem Theory Comput
Esders M   +6 more
europepmc   +1 more source

Spin-Bounded Correlations: Rotation Boxes Within and Beyond Quantum Theory. [PDF]

open access: yesCommun Math Phys
Aloy A   +4 more
europepmc   +1 more source

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