Related papers: DerivKit: stable numerical derivatives bridging Fi…
Scikit-network is a Python package inspired by scikit-learn for the analysis of large graphs. Graphs are represented by their adjacency matrix in the sparse CSR format of SciPy. The package provides state-of-the-art algorithms for ranking,…
Recommender systems are a long-standing research problem in data mining and machine learning. They are incremental in nature, as new user-item interaction logs arrive. In real-world applications, we need to periodically train a…
PokerKit is an open-source Python library designed to overcome the restrictions of existing poker game simulation and hand evaluation tools, which typically support only a handful of poker variants and lack flexibility in game state…
The increasing importance of Computational Science and Engineering has highlighted the need for high-quality scientific software. However, research software development is often hindered by limited funding, time, staffing, and technical…
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…
Models derived from other models are extremely common in machine learning (ML) today. For example, transfer learning is used to create task-specific models from "pre-trained" models through finetuning. This has led to an ecosystem where…
The dirichletprocess package provides software for creating flexible Dirichlet process objects. Users can perform nonparametric Bayesian analysis using Dirichlet processes without the need to program their own inference algorithms. Instead,…
Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…
We present Elvet, a Python package for solving differential equations and variational problems using machine learning methods. Elvet can deal with any system of coupled ordinary or partial differential equations with arbitrary initial and…
The Fisher Matrix is the backbone of modern cosmological forecasting. We describe the Fisher4Cast software: a general-purpose, easy-to-use, Fisher Matrix framework. It is open source, rigorously designed and tested and includes a Graphical…
Differentiation is a cornerstone of computing and data analysis in every discipline of science and engineering. Indeed, most fundamental physics laws are expressed as relationships between derivatives in space and time. However, derivatives…
LoKit is a toolkit based on the coordination language LO. It allows to build distributed collaborative applications by providing a set of generic tools. This paper briefly introduces the concept of the toolkit, presents a subset of the…
The Information Dynamics Toolkit xl (IDTxl) is a comprehensive software package for efficient inference of networks and their node dynamics from multivariate time series data using information theory. IDTxl provides functionality to…
Large Language Models for Code (or code LLMs) are increasingly gaining popularity and capabilities, offering a wide array of functionalities such as code completion, code generation, code summarization, test generation, code translation,…
Dr$.$Jit is a new just-in-time compiler for physically based rendering and its derivative. Dr$.$Jit expedites research on these topics in two ways: first, it traces high-level simulation code (e.g., written in Python) and aggressively…
Tick is a statistical learning library for Python~3, with a particular emphasis on time-dependent models, such as point processes, and tools for generalized linear models and survival analysis. The core of the library is an optimization…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…
Getting good performance out of numerical equation solvers requires that the user has provided stable and efficient functions representing their model. However, users should not be trusted to write good code. In this manuscript we describe…
ORBKIT is a toolbox for post-processing electronic structure calculations based on a highly modular and portable Python architecture. The program allows computing a multitude of electronic properties of molecular systems on arbitrary…