Microbioreactor (MBR) devices have emerged as powerful cultivation tools for tasks of microbial phenotyping and bioprocess characterization and provide a wealth of online process data in a highly parallelized manner. Such datasets are difficult to interpret in short time by manual workflows. In this study, we present the Python package bletl and show how it enables robust data analyses and the application of machine learning techniques without tedious data parsing and preprocessing. bletl reads raw result files from BioLector I, II and Pro devices to make all the contained information available to Python-based data analysis workflows. Together with standard tooling from the Python scientific computing ecosystem, interactive visualizations and spline-based derivative calculations can be performed. Additionally, we present a new method for unbiased quantification of time-variable specific growth rate based on unsupervised switchpoint detection with Student-t distributed random walks. With an adequate calibration model, this method enables practitioners to quantify time-variable growth rate with Bayesian uncertainty quantification and automatically detect switch-points that indicate relevant metabolic changes. Finally, we show how time series feature extraction enables the application of machine learning methods to MBR data, resulting in unsupervised phenotype characterization. As an example, Neighbor Embedding (t-SNE) is performed to visualize datasets comprising a variety of growth/DO/pH phenotypes.
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http://dx.doi.org/10.1002/elsc.202100108 | DOI Listing |
Physiol Meas
January 2025
University of Duisburg-Essen, Bismarckstr. 81 (BB), Duisburg, 47057, GERMANY.
Objective: In recent years, wearable devices such as smartwatches and smart patches have revolutionized biosignal acquisition and analysis, particularly for monitoring electrocardiography (ECG). However, the limited power supply of these devices often precludes real-time data analysis on the patch itself.
Approach: This paper introduces a novel Python package, tinyHLS (High Level Synthesis), designed
to address these challenges by converting Python-based AI models into platform-independent hardware description language (HDL) code accelerators.
J Phys Chem B
January 2025
Department of Physiology and Biophysics, Weill Cornell Medical College, New York, New York 10065, United States.
ModeHunter is a modular Python software package for the simulation of 3D biophysical motion across spatial resolution scales using modal analysis of elastic networks. It has been curated from our in-house Python scripts over the last 15 years, with a focus on detecting similarities of elastic motion between atomic structures, coarse-grained graphs, and volumetric data obtained from biophysical or biomedical imaging origins, such as electron microscopy or tomography. With ModeHunter, normal modes of biophysical motion can be analyzed with various static visualization techniques or brought to life by dynamics animation in terms of single or multimode trajectories or decoy ensembles.
View Article and Find Full Text PDFBrief Bioinform
November 2024
National Center, Children's Hospital, Zhejiang University School of Medicine, National Clinical Research Center for Child Health, 3333 Binsheng Road, Hangzhou 310052, P. R. China.
The unique cyclic structure of cyclic peptides grants them remarkable stability and bioactivity, making them powerful candidates for treating various diseases. However, the lack of standardized tools for cyclic peptide data has hindered their potential in today's artificial intelligence-driven efficient drug design landscape. To bridge this gap, here we introduce a Python package named cyclicpeptide specifically for cyclic peptide drug design.
View Article and Find Full Text PDFJ Pept Sci
February 2025
Novo Nordisk Research Center Seattle, Novo Nordisk A/S, Seattle, Washington, USA.
We present PepFuNN, a new open-source version of the PepFun package with functions to study the chemical space of peptide libraries and perform structure-activity relationship analyses. PepFuNN is a Python package comprising five modules to study peptides with natural amino acids and, in some cases, sequences with non-natural amino acids based on the availability of a public monomer dictionary. The modules allow calculating physicochemical properties, performing similarity analysis using different peptide representations, clustering peptides using molecular fingerprints or calculated descriptors, designing peptide libraries based on specific requirements, and a module dedicated to extracting matched pairs from experimental campaigns to guide the selection of the most relevant mutations in design new rounds.
View Article and Find Full Text PDFNeuroinformatics
January 2025
Neuro Electronics Res. Flanders (NERF), Heverlee, 3001, Belgium.
Neuropixels probes contain thousands of electrodes across one or more shanks and are sufficiently small to allow chronic recording of neural activity in freely behaving small animals. However, the joint increase in the number of electrodes and miniaturization of the probe package has led to a compromise in which groups of electrodes share a single read-out channel and only a fraction of the electrodes can be read out at any given time. Experimenters then face the challenge of selecting a subset of electrodes (i.
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