Results 161 to 170 of about 258,118 (263)

TRACE-DDI: A Hybrid Framework of Transformer-GAT Context Encoder and Pathway-Anchored Knowledge Graphs for DDI Prediction. [PDF]

Comput Struct Biotechnol J
Kim J, Seo T, Jo K.
europepmc   +1 more source

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

Generation of reconfigurable hypercubic graph states in one to four dimensions in a simple optical system. [PDF]

Sci Adv
Zhou Z, de Araujo LEE, DiMario M, Su J, Wu MC, Anderson BE, Zhao J, Jones KM, Lett PD.   +8 more
europepmc   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

Advanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

EMERALD-UI: an interactive web application to unveil novel protein biology hidden in the alternative alignment space. [PDF]

Bioinformatics
Preoteasa A, Grigorjew A, Tomescu AI, Drost HG.   +3 more
europepmc   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

GR2ST: spatial transcriptomics prediction based on graph-enhanced multimodal contrastive learning. [PDF]

Bioinformatics
Zhou J, Li S, Han R, Wang X, Wang Y, Li J.   +5 more
europepmc   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Lancet2: Improved and accelerated somatic variant calling with joint multi-sample local assembly graphs. [PDF]

NAR Genom Bioinform
Musunuri RL, Zhu B, Clarke WE, Hooper W, Chu T, Shelton J, Corvelo A, Chung D, Sundar S, Novak AM, Paten B, Zody MC, Robine N, Narzisi G.   +13 more
europepmc   +1 more source

Soft Mechanical‐Electrical Logic Using Liquid Metal‐Filled 3D‐Printed Architectures

Advanced Engineering Materials, EarlyView.
We present 3D‐printed soft mechanical–electrical logic elements that use liquid metal–filled silicone tubes actuated by thermoplastic polyurethane/polylactic acid (TPU/PLA) architectures to produce Boolean operations. Complementary normally open and normally closed unit cells perform repeatable binary transitions and can be combined into more complex ...
Christoph Lehmann, Ryan Kalgreen, Laura M. Comella   +2 more
wiley   +1 more source