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In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…
Over the past decade, deep learning (DL) research in computer vision has been growing rapidly, with many advances in DL-based image analysis methods for biomedical problems. In this work, we introduce MMV_Im2Im, a new open-source python…
We present a Python toolbox for holographic and tomographic X-ray imaging. It comprises a collection of phase retrieval algorithms for the deeply holographic and direct contrast imaging regimes, including non-linear approaches and extended…
PyArmadillo is a linear algebra library for the Python language, with the aim of closely mirroring the programming interface of the widely used Armadillo C++ library, which in turn is deliberately similar to Matlab. PyArmadillo hence…
Medical image registration is an active research topic and forms a basis for many medical image analysis tasks. Although image registration is a rather general concept specialized methods are usually required to target a specific…
Particle tracking is a fundamental part of the event analysis in high energy and nuclear physics. Events multiplicity increases each year along with the drastic growth of the experimental data which modern HENP detectors produce, so the…
Deep learning has had remarkable success in robotic perception, but its data-centric nature suffers when it comes to generalizing to ever-changing environments. By contrast, physics-based optimization generalizes better, but it does not…
\texttt{Mixture-Models} is an open-source Python library for fitting Gaussian Mixture Models (GMM) and their variants, such as Parsimonious GMMs, Mixture of Factor Analyzers, MClust models, Mixture of Student's t distributions, etc. It…
Ptychography is a powerful computational imaging technique that transforms a collection of low-resolution images into a high-resolution sample reconstruction. Unfortunately, algorithms that are currently used to solve this reconstruction…
The $\texttt{torch-choice}$ is an open-source library for flexible, fast choice modeling with Python and PyTorch. $\texttt{torch-choice}$ provides a $\texttt{ChoiceDataset}$ data structure to manage databases flexibly and…
We introduce PyTorch Geometric High Order (PyGHO), a library for High Order Graph Neural Networks (HOGNNs) that extends PyTorch Geometric (PyG). Unlike ordinary Message Passing Neural Networks (MPNNs) that exchange messages between nodes,…
We present PyFCG, an open source software library that ports Fluid Construction Grammar (FCG) to the Python programming language. PyFCG enables its users to seamlessly integrate FCG functionality into Python programs, and to use FCG in…
In this paper, we introduce PhotoHolmes, an open-source Python library designed to easily run and benchmark forgery detection methods on digital images. The library includes implementations of popular and state-of-the-art methods, dataset…
Processing-in-memory (PIM) promises to alleviate the data movement bottleneck in modern computing systems. However, current real-world PIM systems have the inherent disadvantage that their hardware is more constrained than in conventional…
In spite of showing unreasonable effectiveness in modalities like Text and Image, Deep Learning has always lagged Gradient Boosting in tabular data - both in popularity and performance. But recently there have been newer models created…
Automated debugging, long pursued in a variety of fields from software engineering to cybersecurity, requires a framework that offers the building blocks for a programmable debugging workflow. However, existing debuggers are primarily…
Any cutting-edge scientific research project requires a myriad of computational tools for data generation, management, analysis and visualization. Python is a flexible and extensible scientific programming platform that offered the perfect…
Generative models for molecules have shown considerable promise for use in computational chemistry, but remain difficult to use for non-experts. For this reason, we introduce open-source infrastructure for easily building generative…
Diffusion models have emerged as a prominent technique in generative modeling with neural networks, making their mark in tasks like text-to-image translation and super-resolution. In this tutorial, we provide a comprehensive guide to build…
SelfEEG is an open-source Python library developed to assist researchers in conducting Self-Supervised Learning (SSL) experiments on electroencephalography (EEG) data. Its primary objective is to offer a user-friendly but highly…