Motivation: Computational biologists face many challenges related to data size, and they need to manage complicated analyses often including multiple stages and multiple tools, all of which must be deployed to modern infrastructures. To address these challenges and maintain reproducibility of results, researchers need (i) a reliable way to run processing stages in any computational environment, (ii) a well-defined way to orchestrate those processing stages and (iii) a data management layer that tracks data as it moves through the processing pipeline.
Results: Pachyderm is an open-source workflow system and data management framework that fulfils these needs by creating a data pipelining and data versioning layer on top of projects from the container ecosystem, having Kubernetes as the backbone for container orchestration.
Aspects of density functional resonance theory (DFRT) [D. L. Whitenack and A.
View Article and Find Full Text PDFDensity functional resonance theory (DFRT) is a complex-scaled version of ground-state density functional theory (DFT) that allows one to calculate the in-principle exact resonance energies and lifetimes of metastable anions. In this formalism, the energy and lifetime of the lowest-energy resonance of unbound systems is encoded into a complex "density" that can be obtained via complex-coordinate scaling. This complex density is used as the primary variable in a DFRT calculation, just as the ground-state density would be used as the primary variable in DFT.
View Article and Find Full Text PDFLead arsenate poisoning was diagnosed in 2 beef heifers and was suspected in 6 other cattle from the same herd that had died previously and were not examined. Clinical signs in affected cattle included staggering, dehydration, hemorrhage, acidemia, and shock. Diagnosis was by arsenic and lead analysis of urine samples and kidney and liver tissue digests.
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