Related papers: VoigtFit: A Python package for Voigt profile fitti…
We present pyroomacoustics, a software package aimed at the rapid development and testing of audio array processing algorithms. The content of the package can be divided into three main components: an intuitive Python object-oriented…
In software development, it is common for programmers to copy-paste or port code snippets and then adapt them to their use case. This scenario motivates the code adaptation task -- a variant of program repair which aims to adapt variable…
Vision-language models (VLMs) have demonstrated exceptional generalization capabilities for downstream tasks. Due to its efficiency, prompt learning has gradually become a more effective and efficient method for transferring VLMs to…
This paper introduces the design and implementation of PyOptInterface, a modeling language for mathematical optimization embedded in Python programming language. PyOptInterface uses lightweight and compact data structure to bridge…
This article introduces MCNP-GO (https://github.com/afriou/mcnpgo), a Python package designed to manipulate and assemble MCNP input files, allowing users to assemble a set of independent objects, each described by a valid MCNP file, into a…
We present the AMBiT software package for general atomic structure calculations. This software implements particle-hole configuration interaction with many-body perturbation theory (CI+MBPT) for fully relativistic calculations of atomic…
We introduce the Vector Fitting algorithm for the creation of reduced-order models from the sampled response of a linear time-invariant system. This data-driven approach to reduction is particularly useful when the system under modeling is…
In this paper, we present a detailed numerical implementation of the multicomponent potential theory of adsorption which is among the most accurate gas mixtures adsorption models. The implementation uses the NIST Refprop database to…
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…
Cryogenic solid state detectors are widely used in dark matter and neutrino experiments, and require a sensible raw data analysis. For this purpose, we present Cait, an open source Python package with all essential methods for the analysis…
Vision Transformers (ViTs) have achieved state-of-the-art accuracy on various computer vision tasks. However, their high computational complexity prevents them from being applied to many real-world applications. Weight and token pruning are…
The cornerstone of computational drug design is the calculation of binding affinity between two biological counterparts, especially a chemical compound, i.e., a ligand, and a protein. Predicting the strength of protein-ligand binding with…
Visible-modal object tracking gives rise to a series of downstream multi-modal tracking tributaries. To inherit the powerful representations of the foundation model, a natural modus operandi for multi-modal tracking is full fine-tuning on…
We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…
Predicting the binding affinity of protein protein complexes directly from sequence remains a challenging problem, particularly in the absence of reliable structural information. Here I present ProtT Affinity, a sequence only model that…
WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only. The Python package is centered around tensor train (TT, or matrix product) format representations of…
In this paper, we present resolvent4py, a parallel Python package for the analysis, model reduction and control of large-scale linear systems with millions or billions of degrees of freedom. This package provides the user with a friendly…
In the field of computational fluid dynamics, direct numerical simulations generate highly detailed data for the analysis of turbulent flows by resolving all relevant physical scales. Yet their large size, complexity, and heterogeneity make…
In response to a concerning trend of selectively emphasizing metrics in medical image segmentation (MIS) studies, we introduce \texttt{seg-metrics}, an open-source Python package for standardized MIS model evaluation. Unlike existing…
We describe an algorithm to optimally extract individual spectra of blended sources from a long slit spectrum. A semi-analytic model for the spatial profile is used: a Voigt profile for the undersampled core with a numerical correction…