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GenoML is a Python package automating machine learning workflows for genomics (genetics and multi-omics) with an open science philosophy. Genomics data require significant domain expertise to clean, pre-process, harmonize and perform…

There is a need for a simulation framework, which is develop as a software using modern engineering approaches (e.g., modularity --i.e., model reuse--, testing, continuous development and continuous integration, automated management of…

Software Engineering · Computer Science 2024-05-06 Önder Gürcan

Structure-based drug design is drawing growing attentions in computer-aided drug discovery. Compared with the virtual screening approach where a pre-defined library of compounds are computationally screened, de novo drug design based on the…

Biomolecules · Quantitative Biology 2022-09-14 Kehan Wu , Yingce Xia , Yang Fan , Pan Deng , Haiguang Liu , Lijun Wu , Shufang Xie , Tong Wang , Tao Qin , Tie-Yan Liu

Modern generative models achieve excellent quality in a variety of tasks including image or text generation and chemical molecule modeling. However, existing methods often lack the essential ability to generate examples with requested…

Biotechnology offers many opportunities for the sustainable manufacturing of valuable products. The toolbox to optimize bioprocesses includes \textit{extracellular} process elements such as the bioreactor design and mode of operation,…

Systems and Control · Electrical Eng. & Systems 2023-02-07 Sebastián Espinel-Ríos , Bruno Morabito , Johannes Pohlodek , Katja Bettenbrock , Steffen Klamt , Rolf Findeisen

In recent years, several machine learning approaches have been proposed to predict gene expression and epigenetic signals from the DNA sequence alone. These models are often used to deduce, and, to some extent, assess putative new…

Genomics · Quantitative Biology 2023-04-26 Laurent Bréhélin

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

Simflowny is an open platform which automatically generates parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support an extended set of families of models,…

Mathematical Software · Computer Science 2018-07-04 A. Arbona , B. Miñano , A. Rigo , C. Bona , C. Palenzuela , A. Artigues , C. Bona-Casas , J. Massó

Tabular data remain a dominant form of real-world information but pose persistent challenges for deep learning due to heterogeneous feature types, lack of natural structure, and limited label-preserving augmentations. As a result, ensemble…

Machine Learning · Computer Science 2025-09-23 Sivan Sarafian , Yehudit Aperstein

Although deep learning has made significant progress on fixed large-scale datasets, it typically encounters challenges regarding improperly detecting unknown/unseen classes in the open-world scenario, over-parametrized, and overfitting…

Machine Learning · Computer Science 2022-06-20 Qiufeng Wang , Xin Geng , Shuxia Lin , Shiyu Xia , Lei Qi , Ning Xu

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Quantitative Methods · Quantitative Biology 2025-08-27 Mahsa Sheikholeslami , Navid Mazrouei , Yousof Gheisari , Afshin Fasihi , Matin Irajpour , Ali Motahharynia

Purpose: Since its initial release, the aim of Biodose Tools was to offer an easy-to-use platform to perform the mathematical calculations needed in biological dosimetry. This update 3.7.1, mainly focuses on new features related to…

Quantitative Methods · Quantitative Biology 2025-11-12 Anna Frances-Abellan , David Endesfelder , Alfredo Hernandez , Gemma Armengol , Joan Francesc Barquinero

We advocate the use of qualitative models in the analysis of large biological systems. We show how qualitative models are linked to theoretical differential models and practical graphical models of biological networks. A new technique for…

Molecular Networks · Quantitative Biology 2007-05-23 Philippe Veber , Michel Le_Borgne , Anne Siegel , Sandrine Lagarrigue , Ovidiu Radulescu

The Agent Based Model community has a rich and diverse ecosystem of libraries, platforms, and applications to help modelers develop rigorous simulations. Despite this robust and diverse ecosystem, the complexity of life from microbial…

Computers and Society · Computer Science 2021-11-16 Thomas Pike , Samantha Golden , Daniel Lowdermilk , Brandon Luong , Benjamin Rosado

This paired article aims to develop an automated and programmable biochemical fully connected neural network (BFCNN) with solid theoretical support. In Part I, a concrete design for BFCNN is presented, along with the validation of the…

Dynamical Systems · Mathematics 2024-01-17 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

Logical models offer a simple but powerful means to understand the complex dynamics of biochemical regulation, without the need to estimate kinetic parameters. However, even simple automata components can lead to collective dynamics that…

Other Computer Science · Computer Science 2018-08-30 Rion Brattig Correia , Alexander J. Gates , Xuan Wang , Luis M. Rocha

Gene Regulatory Networks (GRNs) are intricate biological systems that control gene expression and regulation in response to environmental and developmental cues. Advances in computational biology, coupled with high throughput sequencing…

Machine Learning · Computer Science 2025-04-18 Akshata Hegde , Tom Nguyen , Jianlin Cheng

The editing of transcribed RNA by other molecules such that the form of the final product differs from that specified in the corresponding DNA sequence is ubiquitous. This paper uses an abstract, tunable Boolean genetic regulatory network…

Neural and Evolutionary Computing · Computer Science 2015-05-11 Larry Bull

Sample-induced image-degradation remains an intricate wave-optical problem in light-sheet microscopy. Here we present biobeam, an open-source software package that enables to simulate operational light-sheet microscopes by combining data…

Biological Physics · Physics 2018-07-04 Martin Weigert , Eugene W. Myers , Moritz Kreysing

We have developed URDME, a general software for simulation of stochastic reaction-diffusion processes on unstructured meshes. This allows for a more flexible handling of complicated geometries and curved boundaries compared to simulations…

Molecular Networks · Quantitative Biology 2026-02-27 Stefan Engblom
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