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PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…

Chemical Physics · Physics 2023-11-14 Xiaoli Yan , Santanu Chaudhuri

In the rapidly evolving era of Artificial Intelligence (AI), synthetic data are widely used to accelerate innovation while preserving privacy and enabling broader data accessibility. However, the evaluation of synthetic data remains…

We give compact extended formulations for the packing and partitioning orbitopes (with respect to the full symmetric group) described and analyzed in (Kaibel and Pfetsch, 2008). These polytopes are the convex hulls of all 0/1-matrices with…

Combinatorics · Mathematics 2008-06-14 Yuri Faenza , Volker Kaibel

Colonoscopy is the primary method for examination, detection, and removal of polyps. However, challenges such as variations among the endoscopists' skills, bowel quality preparation, and the complex nature of the large intestine contribute…

This paper introduces SLIM-VDB, a new lightweight semantic mapping system with probabilistic semantic fusion for closed-set or open-set dictionaries. Advances in data structures from the computer graphics community, such as OpenVDB, have…

High dimensional sampling is an important computational tool in statistics and other computational disciplines, with applications ranging from Bayesian statistical uncertainty quantification, metabolic modeling in systems biology to volume…

Computation · Statistics 2024-12-10 Benny Sun , Yuansi Chen

In this paper we introduce the SchemaDB data-set; a collection of relational database schemata in both sql and graph formats. Databases are not commonly shared publicly for reasons of privacy and security, so schemata are not available for…

Databases · Computer Science 2025-05-30 Cody James Christopher , Kristen Moore , David Liebowitz

The Fedora architecture is an extensible framework for the storage, management, and dissemination of complex objects and the relationships among them. Fedora accommodates the aggregation of local and distributed content into digital objects…

Digital Libraries · Computer Science 2007-05-23 Carl Lagoze , Sandy Payette , Edwin Shin , Chris Wilper

A matroid is a machine capturing linearity of mathematical objects and producing combinatorial structures. Matroid structure arises everywhere since linearity is a ubiquitous concept. One natural way to obtain matroids is by considering…

Combinatorics · Mathematics 2023-03-14 Jaeho Shin

We present PolyHoop, a lightweight standalone C++ implementation of a mechanical model to simulate the dynamics of soft particles and cellular tissues in two dimensions. With only few geometrical and physical parameters, PolyHoop is capable…

Soft Condensed Matter · Physics 2024-02-22 Roman Vetter , Steve V. M. Runser , Dagmar Iber

We provide a user's guide to version 1.0 of the software package CYTools, which we designed to compute the topological data of Calabi-Yau hypersurfaces in toric varieties. CYTools has strong capabilities in analyzing and triangulating…

High Energy Physics - Theory · Physics 2022-11-09 Mehmet Demirtas , Andres Rios-Tascon , Liam McAllister

Scientific endeavors such as large astronomical surveys generate databases on the terabyte scale. These, usually multidimensional databases must be visualized and mined in order to find interesting objects or to extract meaningful and…

Unstructured data(e.g., images, videos, PDF files, etc.) contain semantic information, for example, the facial feature of a person and the plate number of a vehicle. There could be semantic relationships between data items which are not…

Databases · Computer Science 2022-10-11 Zihao Zhao , Zhihong Shen , Mingjie Tang , Chuan Hu , Huajin Wang , Yuanchun Zhou

We present a Mathematica program package MagneticTB, which can generate the tight-binding model for arbitrary magnetic space group. The only input parameters in MagneticTB are the (magnetic) space group number and the orbital information in…

Materials Science · Physics 2022-01-25 Zeying Zhang , Zhi-Ming Yu , Gui-Bin Liu , Yugui Yao

Driven by the recent rapid increase in the number of materials databases published (open and commercial), I discuss here some perspectives on the growing need for standardized, interoperable, open databases. The field of computational…

Materials Science · Physics 2019-11-14 François-Xavier Coudert

In 1997 Oda conjectured that every smooth lattice polytope has the integer decomposition property. We prove Oda's conjecture for centrally symmetric $3$-dimensional polytopes, by showing they are covered by lattice parallelepipeds and…

In this work, following the Discrete de Rham (DDR) paradigm, we develop an arbitrary-order discrete divdiv complex on general polyhedral meshes. The construction rests 1) on discrete spaces that are spanned by vectors of polynomials whose…

Numerical Analysis · Mathematics 2024-09-13 Daniele A. Di Pietro , Marien-Lorenzo Hanot

Summary: PDBImages is an innovative, open-source Node.js package that harnesses the power of the popular macromolecule structure visualization software Mol*. Designed for use by the scientific community, PDBImages provides a means to…

Biomolecules · Quantitative Biology 2024-01-03 Adam Midlik , Sreenath Nair , Stephen Anyango , Mandar Deshpande , David Sehnal , Mihaly Varadi , Sameer Velankar

Spectra emitted from ionized nebulae typically contain collisionally excited and recombination lines, which can be used to trace physical conditions and chemical abundances of the interstellar medium in our Galaxy and other galaxies.…

Instrumentation and Methods for Astrophysics · Physics 2024-11-26 A. Danehkar

Increasingly massive volumes of multi-modal data are being accumulated in many {real world} settings, including in health care and e-commerce. This development calls for effective general-purpose data management solutions for multi-modal…

Databases · Computer Science 2025-07-08 Tang Qian , Yifan Zhu , Lu Chen , Xiangyu Ke , Jingwen Zhao , Tianyi Li , Yunjun Gao , Christian S. Jensen