Towards reproducible computational drug discovery

N Schaduangrat, S Lampa, S Simeon… - Journal of …, 2020 - Springer
The reproducibility of experiments has been a long standing impediment for further scientific
progress. Computational methods have been instrumental in drug discovery efforts owing to …

[PDF][PDF] SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines

S Lampa, M Dahlö, J Alvarsson, O Spjuth - GigaScience, 2019 - academic.oup.com
Background The complex nature of biological data has driven the development of
specialized software tools. Scientific workflow management systems simplify the assembly of …

Feedback-based resource allocation for batch scheduling of scientific workflows

C Witt, D Wagner, U Leser - 2019 International Conference on …, 2019 - ieeexplore.ieee.org
A scientific workflow is a set of interdependent compute tasks orchestrating large scale data
analyses or in-silico experiments. Workflows often comprise thousands of tasks with …

Unifying package managers, workflow engines, and containers: Computational reproducibility with BioNix

J Bedő, L Di Stefano, AT Papenfuss - GigaScience, 2020 - academic.oup.com
Motivation A challenge for computational biologists is to make our analyses reproducible—
ie to rerun, combine, and share, with the assurance that equivalent runs will generate …

Script of Scripts: A pragmatic workflow system for daily computational research

G Wang, B Peng - PLoS computational biology, 2019 - journals.plos.org
Computationally intensive disciplines such as computational biology often require use of a
variety of tools implemented in different scripting languages and analysis of large data sets …

Portability of scientific workflows in ngs data analysis: a case study

C Schiefer, M Bux, J Brandt, C Messerschmidt… - arXiv preprint arXiv …, 2020 - arxiv.org
The analysis of next-generation sequencing (NGS) data requires complex computational
workflows consisting of dozens of autonomously developed yet interdependent processing …

Solving partially observable environments with universal search using dataflow graph-based programming model

SK Paul, P Bhaumik - IETE Journal of Research, 2023 - Taylor & Francis
Universal search allows one to create an asymptotically optimal intelligent agent, which can
act in a wide range of computable environments. However combinatorial explosion is still …

An Extensible and Flexible Methodology for Analyzing the Cache Performance of Hardware Designs

L Klemmer, D Grose - 2024 Forum on Specification & Design …, 2024 - ieeexplore.ieee.org
Caches are essential to achieve high performance in modern hardware designs as they
bridge the performance gap between digital logic and memories. However, prior research …

Towards an internet of science

J Allmer - Journal of Integrative Bioinformatics, 2019 - degruyter.com
Big data and complex analysis workflows (pipelines) are common issues in data driven
science such as bioinformatics. Large amounts of computational tools are available for data …

Scientific Workflows for Hadoop

MN Bux - 2018 - edoc.hu-berlin.de
Scientific workflows provide a means to model, execute, and exchange the increasingly
complex analysis pipelines necessary for today's data-driven science. Over the last …