Results 91 to 100 of about 119,802 (171)

SFTGNN: An Efficient Spherical Fourier Transform-Enhanced Graph Neural Network for High-Accuracy Crystal Property Prediction. [PDF]

ACS Omega
Jiang Z, Tian H.
europepmc   +1 more source

PPO-Based Reinforcement Learning Control of a Flapping-Wing Robot with a Bio-Inspired Sensing and Actuation Feather Unit. [PDF]

Sensors (Basel)
Hussain S, Messaoudi M, Imran M, Tang D.
europepmc   +1 more source

Learning Multidimensional Electronegativity of Selected Atom Types in Organic Molecules Using Graph Neural Networks. [PDF]

ACS Omega
Han DB, Na GS, Kim HW.
europepmc   +1 more source

Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory. [PDF]

J Comput Chem
Mortera-Carbonell AJ, Hernández-Trujillo J, Francisco E, Pendás AM.   +3 more
europepmc   +1 more source

A survey of contrastive learning methods in molecular representation. [PDF]

Brief Bioinform
Forooghi A, Sadeghi S, Rueda L, Ngom A.
europepmc   +1 more source

KGG: Knowledge-Guided Graph Self-Supervised Learning to Enhance Molecular Property Predictions. [PDF]

J Chem Inf Model
To VT, Van Nguyen PC, Truong GB, Phan TM, Phan TL, Fagerberg R, Stadler PF, Truong TN.   +7 more
europepmc   +1 more source

Transformer-based graphs for drug-drug interaction with chemical knowledge embedding. [PDF]

Brief Bioinform
Zhang J, Zhang X, Dai Y, Shao X, Fan X.
europepmc   +1 more source

Constraint Decoupled Latent Diffusion for Protein Backmapping. [PDF]

J Chem Theory Comput
Han X, Sun Y, Chen K, Ren Y, Liu K, Ye Q.   +5 more
europepmc   +1 more source

Graph-Based Deep Learning Models for Predicting p<i>K</i>_a Values of Protein-Ionizable Residues via Physically Inspired Feature Engineering. [PDF]

J Chem Inf Model
Song Z, Wang R, Jiao X, Huang Z.
europepmc   +1 more source

The Dynamic Analysis for 3-PPR Planar Parallel Mechanism Based on Vector Bond Graph Method

Mechanical Engineering and Technology, 2016
openaire   +1 more source