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Reproducibility and reusability of the results of data-based modeling studies are essential. Yet, there has been -- so far -- no broadly supported format for the specification of parameter estimation problems in systems biology. Here, we…

Information on protein-protein interactions (PPIs) not only advances our understanding of molecular biology but also provides important clues for target selection in drug discovery and the design of PPI inhibitors. One of the techniques…

Biomolecules · Quantitative Biology 2021-05-11 Masahito Ohue , Yutaka Akiyama

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…

The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…

Instrumentation and Methods for Astrophysics · Physics 2025-12-23 Daniele Gasparri , Lorenzo Morelli , Umberto Battino , Jairo Méndez Abreu , Adriana de Lorenzo-Cáceres

Reliable parameter extraction from experimental data is central to quantitative analysis in spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. We present FitED, a Python-based desktop…

Data Analysis, Statistics and Probability · Physics 2026-05-04 Mustafa Mahmoud Aboulsaad

Peptides offer great biomedical potential and serve as promising drug candidates. Currently, the majority of approved peptide drugs are directly derived from well-explored natural human peptides. It is quite necessary to utilize advanced…

Biomolecules · Quantitative Biology 2024-01-29 Yipin Lei , Xu Wang , Meng Fang , Han Li , Xiang Li , Jianyang Zeng

The current landscape of scientific research is widely based on modeling and simulation, typically with complexity in the simulation's flow of execution and parameterization properties. Execution flows are not necessarily straightforward…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-26 Eduardo Ponce , Brittany Stephenson , Suzanne Lenhart , Judy Day , Gregory D. Peterson

Live time-lapse microscopy is essential for a wide range of biological applications. Software-based automation is the gold standard for the operation of hardware accessories necessary for image acquisition. Given that current software…

Image and Video Processing · Electrical Eng. & Systems 2019-06-20 Quang Long Pham , David Chege , Timothy Dijamco , Migle Surblyte , Akshay Naik , Kolawole Campbell , Nhat-Anh-Nguyen Tong , Roman Voronov

Existing biomedical benchmarks do not provide end-to-end infrastructure for training, evaluation, and inference of models that integrate multimodal biological data and a broad range of machine learning tasks in therapeutics. We present…

Machine Learning · Computer Science 2026-01-23 Alejandro Velez-Arce , Jesus Caraballo , Marinka Zitnik

Understanding mechanistic relationships among genes and their impacts on biological pathways is essential for elucidating disease mechanisms and advancing precision medicine. Despite the availability of extensive molecular interaction and…

Molecular Networks · Quantitative Biology 2026-03-24 Fujian Jia , Jiwen Gu , Cheng Lu , Dezhi Zhao , Mengjiang Huang , Yuanzhi Lu , Xin Liu , Kang Liu

Uncovering the underlying causal mechanisms of complex real-world systems remains a significant challenge, as these systems often entail high data collection costs and involve unknown interventions. We introduce MetaCaDI, the first…

Machine Learning · Statistics 2025-10-28 Hans Jarett Ong , Yoichi Chikahara , Tomoharu Iwata

Magboltz is widely used to compute electron transport properties in gas mixtures for detector applications. Its text-based workflow, however, can be a barrier for routine use, especially for users who are not already familiar with the…

Computational Physics · Physics 2026-04-03 Michele Renda. Dan Andrei Ciubotaru , Călin Alexa

Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…

Machine Learning · Computer Science 2024-05-29 Jiantong Jiang , Zeyi Wen , Peiyu Yang , Atif Mansoor , Ajmal Mian

This project focuses on utilizing a combination of Tkinter for GUI development and Tableauf for data visualization to do sentiment analysis on thread reviews.The main goal is to evaluate and visualize consumer sentiments as they are…

Computer Science and Game Theory · Computer Science 2024-05-02 Robin Donal

In this paper, we describe a Graphical User Interface (GUI) designed to manage large quantities of image data of a biological system. After setting the design requirements for the system, we developed an ecology quantification GUI that…

Quantitative Methods · Quantitative Biology 2008-01-08 Nigel J. Burroughs , George D. Tsibidis , William Gaze , Liz Wellington

Pathway Tools is a bioinformatics software environment with a broad set of capabilities. The software provides genome-informatics tools such as a genome browser, sequence alignments, a genome-variant analyzer, and comparative-genomics…

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

Machine Learning · Computer Science 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein

The possibility to create reactive robot programs faster without the need for extensively trained programmers is becoming increasingly important. So far, it has not been explored how various techniques for creating Behavior Tree (BT)…

Data imputation is an effective way to handle missing data, which is common in practical applications. In this study, we propose and test a novel data imputation process that achieve two important goals: (1) preserve the row-wise…

Machine Learning · Computer Science 2023-09-13 Katrina Chen , Xiuqin Liang , Zheng Ma , Zhibin Zhang

The Parameter-Efficient Fine-Tuning (PEFT) method, which adjusts or introduces fewer trainable parameters to calibrate pre-trained models on downstream tasks, has become a recent research interest. However, existing PEFT methods within the…

Computation and Language · Computer Science 2023-12-13 Jiacheng Ruan , Jingsheng Gao , Mingye Xie , Suncheng Xiang , Zefang Yu , Ting Liu , Yuzhuo Fu
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