12 papers · ranked by Valyu relevance
Andrew D Yates, Jeremy Adams, Somesh Chaturvedi, Robert M Davies + 7 more
Reference genome sequences are central to genomic interpretation and to defining a baseline of knowledge upon which our understanding of biological systems, phenotypes and variation are based. The ability to interpret such data is essential for the delivery of genomics into the clinic. As precision medicine becomes…
Andres Munoz-Arcentales, Sonsoles López-Pernas, Javier Conde, Álvaro Alonso + 3 more
'Álvaro Alonso' 'Joaquín Salvachúa' 'Juan José Hierro' 'Rebeca P. Díaz Redondo'] In recent years, many proposals of context-aware systems applied to IoT-based smart environments have been presented in the literature. Most previous works provide a generic high-level structure of how a context-aware system can be…
Andrea Keyter, Sam Salek, Neil McAuslane, Shabir Banoo + 2 more
'Samvel Azatyan' 'Stuart Walker'] Background This study sought to identify criteria and current practices for implementing an abridged review process and understanding barriers and enablers in utilizing reliance models and to offer recommendations for the implementation of an abridged review process in South Africa…
Kirill Zinovjev, Lester Hedges, Rubén Montagud Andreu, Christopher Woods + 2 more
We present in this work the emle-engine package (https://github.com/chemle/emle-engine) – the implementation of a new machine learning embedding scheme for hybrid machine learning potential / molecular mechanics (ML/MM) dynamics simulations. The package is based on an embedding scheme that uses a physics-based model of…
Kérilin Stancine Santos Rocha, Sabrina Cerqueira-Santos, Genival Araújo dos Santos-Júnior, Lincoln Marques Cavalcante-Santos + 4 more
The implementation of clinical pharmacy services (CPS) has grown worldwide. However, few studies have used models and/or frameworks to facilitate the implementation process, especially in a low and middle-income countries. In addition, there are limitations in the ways that implementation frameworks are used.…
Shuvendu K. Lahiri, Chao Wang, Kartik Nagar, Prasita Mukherjee + 1 more
'Suresh Jagannathan'] Geo-replicated systems provide a number of desirable properties such as globally low latency, high availability, scalability, and built-in fault tolerance. Unfortunately, programming correct applications on top of such systems has proven to be very challenging, in large part because of the weak…
Richard Apodaca
Despite its widespread use, Simplified Molecular Input Line Entry System (SMILES) remains underspecified. The lack of a detailed specification encourages improvisation by software developers, complicates data standardization efforts, and undermines extension development. Balsa, a reformulation of SMILES, addresses…
Martin Šícho, Xuhan Liu, Daniel Svozil, Gerard van Westen
This manuscript describes the development and architecture of the GenUI software platform for integration of molecular generators. The source code for the components of the platform is available in the following repositories: https://github.com/martin-sicho/genui https://github.com/martin-sicho/genui-gui…
Josef Justa, Václav Šmídl, Aleš Hamáček
A new predictor-corrector filter for attitude and heading reference systems (AHRS) using data from an orthogonal sensor combination of three accelerometers, three magnetometers and three gyroscopes is proposed. The filter uses the predictor-corrector structure, with prediction based on gyroscopes and independent…
Enola K. Proctor, Alicia C. Bunger, Rebecca Lengnick-Hall, Donald R. Gerke + 3 more
'Donald R. Gerke' 'Jared K. Martin' 'Rebecca J. Phillips' 'Julia C. Swanson'] Correction: Implementation Sci 18, 31 (2023) https://doi.org/10.1186/s13012-023-01286-z The original publication [1] of this article contained an incorrect citation and a missing reference. The incorrect citation appears in the section…
A. Mark Payne, Haoyang Wu, Hao-Wei Pang, Colin A. Grambow + 4 more
To obtain accurate enthalpies of formation of a chemical species, Hf, one needs a procedure to quantitatively connect the results from quantum mechanical (QM) calculations with the experimental enthalpies of elements in their standard state, often along with additional empirical corrections. Although QM methods…
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher + 3 more
We present a highly scalable DFT-based QM/MM implementation developed within MiMiC, a recently introduced multiscale modeling framework that uses a loose-coupling strategy in conjunction with a multiple-program multiple-data (MPMD) approach. The computation of electrostatic QM/MM interactions is parallelized exploiting…