Related papers: FitED: A User-Centric, Extensible Software Environ…
Fit;o) is a M\"ossbauer fitting and analysis program written in Borland Delphi. It has a complete graphical user interface that allows all actions to be carried out via mouse clicks or key shortcut operations in a WYSIWYG fashion. The…
Graph representation is a powerful abstraction of real-world objects and relations. Computing the Graph Edit Distance (GED) between graphs is critical in domains such as bioinformatics, machine learning, and pattern recognition. GED…
A key challenge in evolutionary biology is to develop robust computational tools that can accurately analyze shape variations across diverse anatomical structures. The Dirichlet Normal Energy (DNE) is a shape complexity metric that…
The fitting of spectral lines is a common step in the analysis of line observations and simulations. However, the observational noise, the presence of multiple velocity components, and potentially large data sets make it a non-trivial task.…
Many machine learning applications encounter a situation where model providers are required to further refine the previously trained model so as to gratify the specific need of local users. This problem is reduced to the standard model…
Low-energy electron diffraction (LEED) is a widely used technique in surface-science. Yet, it is rarely used to its full potential. The quantitative information about the surface structure, contained in the modulation of the intensities of…
Many tools exist for extracting structural and physiochemical descriptors from linear peptides to predict their properties, but similar tools for hydrocarbon-stapled peptides are lacking.Here, we present StaPep, a Python-based toolkit…
Automated data-driven modeling, the process of directly discovering the governing equations of a system from data, is increasingly being used across the scientific community. PySINDy is a Python package that provides tools for applying the…
Graph neural networks (GNNs) are gaining increasing popularity as a promising approach to machine learning on graphs. Unlike traditional graph workloads where each vertex/edge is associated with a scalar, GNNs attach a feature tensor to…
ivadomed is an open-source Python package for designing, end-to-end training, and evaluating deep learning models applied to medical imaging data. The package includes APIs, command-line tools, documentation, and tutorials. ivadomed also…
Accurate computational ptychographic phase reconstructions are enabled by fast direct-electron cameras with high dynamic ranges used for four-dimensional scanning transmission electron microscopy (4D-STEM). The availability of open software…
Although Raman spectroscopy is widely used for the investigation of biomedical samples and has a high potential for use in clinical applications, it is not common in clinical routines. One of the factors that obstruct the integration of…
Optimal extraction is a key step in processing the raw images of spectra as registered by two-dimensional detector arrays to a one-dimensional format. Previously reported algorithms reconstruct models for a mean one-dimensional spatial…
The proliferation of physiological sensors opens new opportunities to explore interactions, conduct experiments and evaluate the user experience with continuous monitoring of bodily functions. Commercial devices, however, can be costly or…
Density-based clustering aims to find groups of similar objects (i.e., clusters) in a given dataset. Applications include, e.g., process mining and anomaly detection. It comes with two user parameters ({\epsilon}, MinPts) that determine the…
Motivation: Peptides have attracted the attention in this century due to their remarkable therapeutic properties. Computational tools are being developed to take advantage of existing information, encapsulating knowledge and making it…
Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of…
We present a new Python pipeline for processing data from astronomical long-slit spectroscopy observations recorded with CCD detectors. The pipeline is designed to aim for simplicity, manual execution, transparency and robustness. The goal…
Progress in Prognostics and Health Management (PHM) is hindered by the lack of standardized and reusable evaluation practices across tasks, datasets, and application domains. Reported results are often difficult to reproduce and compare, as…
Human body fitting, which aligns parametric body models such as SMPL to raw 3D point clouds of clothed humans, serves as a crucial first step for downstream tasks like animation and texturing. An effective fitting method should be both…