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Summary: The Systems Biology Markup Language (SBML) is an extensible standard format for exchanging biochemical models. One of the extensions for SBML is the SBML Layout and Render package. This allows modelers to describe a biochemical…

Quantitative Methods · Quantitative Biology 2022-11-16 Jin Xu , Jessie Jiang , Herbert M. Sauro

PyMilo is an open-source Python package that addresses the limitations of existing Machine Learning (ML) model storage formats by providing a transparent, reliable, and safe method for exporting and deploying trained models. Current…

Machine Learning · Computer Science 2025-01-03 AmirHosein Rostami , Sepand Haghighi , Sadra Sabouri , Alireza Zolanvari

OpenML is an online platform for open science collaboration in machine learning, used to share datasets and results of machine learning experiments. In this paper we introduce OpenML-Python, a client API for Python, opening up the OpenML…

We describe a web-based tool, MakeSBML (https://sys-bio.github.io/makesbml/), that provides an installation-free application for creating, editing, and searching the Biomodels repository for SBML-based models. MakeSBML is a client-based web…

Molecular Networks · Quantitative Biology 2023-09-08 Bartholomew E. Jardine , Lucian P. Smith , Herbert M. Sauro

This paper presents libRoadRunner, an extensible, high-performance, cross-platform, open-source software library for the simulation and analysis of models \ expressed using Systems Biology Markup Language (SBML). SBML is the most widely…

Subcellular Processes · Quantitative Biology 2015-03-04 Endre T. Somogyi , Jean-Marie Bouteiller , James A. Glazier , Matthias König , Kyle Medley , Maciej H. Swat , Herbert M. Sauro

PiML (read $\pi$-ML, /`pai`em`el/) is an integrated and open-access Python toolbox for interpretable machine learning model development and model diagnostics. It is designed with machine learning workflows in both low-code and high-code…

Machine Learning · Computer Science 2023-12-21 Agus Sudjianto , Aijun Zhang , Zebin Yang , Yu Su , Ningzhou Zeng

Interpreting biological networks becomes challenging when molecular components, such as genes or proteins, participate in numerous interactions, resulting in densely connected regions and overlapping interactions that obscure functional…

Molecular Networks · Quantitative Biology 2025-02-18 Adel Heydarabadipour , Herbert M Sauro

Training sophisticated machine learning (ML) models requires large datasets that are difficult or expensive to collect for many applications. If prior knowledge about system dynamics is available, mechanistic representations can be used to…

DoubleML is an open-source Python library implementing the double machine learning framework of Chernozhukov et al. (2018) for a variety of causal models. It contains functionalities for valid statistical inference on causal parameters when…

Machine Learning · Statistics 2022-10-06 Philipp Bach , Victor Chernozhukov , Malte S. Kurz , Martin Spindler

Motivation: This paper presents libRoadRunner 2.0, an extensible, high-performance, cross-platform, open-source software library for the simulation and analysis of models expressed using Systems Biology Markup Language SBML). Results:…

Quantitative Methods · Quantitative Biology 2022-03-03 Ciaran Welsh , Jin Xu , Lucian Smith , Matthias König , Kiri Choi , Herbert M. Sauro

We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source software to design custom Coarse-Grained (CG) models, as well as pre-defined models of polyelectrolytes, peptides and globular proteins in the Extensible…

Summary: The DynaSig-ML (Dynamical Signatures - Machine Learning) Python package allows the efficient, user-friendly exploration of 3D dynamics-function relationships in biomolecules, using datasets of experimental measures from large…

Biomolecules · Quantitative Biology 2022-07-08 Olivier Mailhot , Francois Major , Rafael Najmanovich

Bayesian Networks (BNs) are used in various fields for modeling, prediction, and decision making. pgmpy is a python package that provides a collection of algorithms and tools to work with BNs and related models. It implements algorithms for…

Machine Learning · Computer Science 2023-04-19 Ankur Ankan , Johannes Textor

We have built an open-source software system for the modeling of biomolecular reaction networks, SloppyCell, which is written in Python and makes substantial use of third-party libraries for numerics, visualization, and parallel…

Quantitative Methods · Quantitative Biology 2007-05-23 Christopher R. Myers , Ryan N. Gutenkunst , James. P. Sethna

We introduce BSMArt, a python program for the exploration of parameter spaces of theories Beyond the Standard Model. Especially designed for use with the SARAH family of tools, it is also sufficiently flexible to be used with a wide variety…

High Energy Physics - Phenomenology · Physics 2023-01-04 Mark D. Goodsell , Ari Joury

We introduce PyHHMM, an object-oriented open-source Python implementation of Heterogeneous-Hidden Markov Models (HHMMs). In addition to HMM's basic core functionalities, such as different initialization algorithms and classical observations…

Mathematical Software · Computer Science 2022-01-19 Fernando Moreno-Pino , Emese Sükei , Pablo M. Olmos , Antonio Artés-Rodríguez

We present PrismSSL, a Python library that unifies state-of-the-art self-supervised learning (SSL) methods across audio, vision, graphs, and cross-modal settings in a single, modular codebase. The goal of the demo is to show how researchers…

Machine Learning · Computer Science 2025-11-25 Melika Shirian , Kianoosh Vadaei , Kian Majlessi , Audrina Ebrahimi , Arshia Hemmat , Peyman Adibi , Hossein Karshenas

This paper presents linear DML models for causal inference using the simplest Python code on a Jupyter notebook based on an Anaconda platform and compares the performance of different DML models. The results show that current Library API…

Software Engineering · Computer Science 2025-02-25 Shunxin Yao

Users in many domains use machine learning (ML) predictions to help them make decisions. Effective ML-based decision-making often requires explanations of ML models and their predictions. While there are many algorithms that explain models,…

Machine Learning · Computer Science 2023-12-21 Alexandra Zytek , Wei-En Wang , Dongyu Liu , Laure Berti-Equille , Kalyan Veeramachaneni

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…

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