Search Results for "data structure"
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Showing 27 open source projects for "data structure"
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Cookiecutter Data Science
Project structure for doing and sharing data science work
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work. When we think about data analysis, we often think just about the resulting reports, insights, or visualizations. While these end products are generally the main event, it's easy to focus on making the products look nice and ignore the quality of the code that generates them. Because these end products are created programmatically, code quality is still important! ... -
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OpenFermion
The electronic structure package for quantum computers
OpenFermion is an open source library for compiling and analyzing quantum algorithms to simulate fermionic systems, including quantum chemistry. Among other functionalities, this version features data structures and tools for obtaining and manipulating representations of fermionic and qubit Hamiltonians. For more information, see our release paper. Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because the electronic structure plugins are only compatible on these platforms. However, for those who would like to use Windows, or for anyone having other difficulties with installing OpenFermion or its plugins, we have provided a Docker image and usage instructions in the docker folder. ... -
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Open X-Embodiment
Unified open dataset enabling cross-embodiment learning for robotics
Open X-Embodiment is a large-scale collaborative initiative led by Google DeepMind to unify robotic learning datasets into a consistent and standardized format, simplifying access and usage across the robotics research community. Its primary goal is to make all available open-source robotic data interoperable by representing them using the RLDS (Reinforcement Learning Dataset Structure) episode format. This enables seamless integration for training, evaluation, and model development across diverse robotic tasks and embodiments. The dataset aggregates contributions from multiple open-source robotic projects, all harmonized under a single unified data schema. ... -
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AlohaMini
Open-Source Dual-Arm Mobile Robot with Motorized Lift
AlohaMini is a lightweight self-hostable productivity and note-taking platform designed to help individuals organize thoughts, tasks, and knowledge in a fast, minimal interface that avoids unnecessary complexity. It combines hierarchical notebooks, rich text editing, and tagging, allowing users to structure information the way they think and refine that structure over time. The platform focuses on speed and responsiveness, with a UI that loads instantly and feels smooth even on modest... -
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DataPrep
Python-based data preprocessing tool
DataPrep v0.2 is a Tkinter-based GUI application/tool designed to assist users in data preprocessing, multicollinearity removal, and feature selection for a wide range of applications in Cheminformatics, Bioinformatics, Data Analysis, Feature Selection, Molecular Modeling, Machine Learning, and Quantitative-structure-property relationship (QSPR) studies. It includes functionality to load, process, and save datasets with support for different preprocessing & multicollinearity removal strategies with customizable parameter setting options. -
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CAIRO for AERMOD
AERMOD, visualisation, input, modelling and compiling tool
...Features: Automatic input by copying coordinates (Google Maps or text) and automatic conversion to UTM. Sources are automatically visualised in Google Earth. Input is done through user interface and automatically compiled into correct syntax and project/file structure. Windows application, supports up to 3 averaging periods, maxtable, maxifile, rankfile and plotfile. Elevation and meteorological data is third party. CAIRO for AERMOD (Compile AERMAP, AERMOD and AERPLOT Input and Run Output) aimed at streamlining the process of making complex input file, with unique syntax and running them. ... -
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SDF Merger
Desktop application for merging multiple SDF files into a single SDF
...Real-time Progress Tracking: Visual progress bar and status updates during merging Technical Specifications: 1. Language: Python 3 2. GUI Framework: Tkinter 3. Chemistry Library: RDKit for chemical data processing 4. File Formats: Input/Output in SDF format Citation Md. Ismiel Hossen, A. (2026). SDF Merger: A Desktop and Web Tool for Merging Chemical Structure Data Files (v1.1). Zenodo. https://doi.org/10.5281/zenodo.18291398 -
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Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
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LaueTools
open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation. Python 3 Code and new features are now at: https://gitlab.esrf.fr/micha/lauetools -
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published... -
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Awesome Math
This is the Curriculum for "How to Learn Mathematics Fast"
...It also suggests checkpoints and practice ideas so you can test comprehension and move forward with confidence. The structure is useful both for newcomers who want a starting plan and for practitioners filling specific gaps before tackling ML or deep learning. Overall, it acts as a compact study plan that turns “learn math” from a vague goal into a concrete, achievable path. -
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Spectral-SpecPro
Spectral - software for manipulating optical spectroscopy data
Spectral-SpecPro helps with the manipulation of optical spectroscopy data. Spectral takes files produced by Jasco instruments (uv-vis absorbance, fluorescence, circular dichroism readings as a function of wavelength, temperature, or time) and facilitates basic operations such as unit conversion (CD spectra), conversion into the format taken by CDPro (estimation of secondary structure; CD spectra), scatter correction (absorbance spectra), smoothing, re-sampling of the x-axis, and generic combination (sum, product, average, standard deviation) of multiple curves. ... -
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Py3DN
Morphometric analysis and visualization of the 3D structure of neurons
...The application was developed in Python and uses Blender (an open source program) to produce detailed 3D representations of raw and processed data. Py3DN is described in the paper: Aguiar P et al, "Versatile morphometric analysis and visualization of the three-dimensional structure of neurons", Neuroinformatics, 2013, 11(4):393-403 doi: 10.1007/s12021-013-9188-z -
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NanoCap
Carbon Fullerene and Capped Nanotube Generator
NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the... -
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xPyder PyMOL Plugin
Analyze and visualize coupled residues and their networks in proteins
xPyder is a PyMOL plugin to analyze and visualize on the 3D structure dynamical cross-correlation matrices (DCCM), linear mutual information (LMI), communication propensities (CP), intra- and inter-molecular interactions (e.g. PSN), and more, to produce highly customizable publication-quality images. xPyder identifies networks (using concepts from graph theory, such as hubs and shortest path searching), compares matrices and focuses the analysis on relevant information by filtering the data using a modular, user-expandable plugin system that takes advantage of structural and dynamical information, contributing to bridge the gap between dynamical and mechanical properties at the molecular level. -
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allink
Software for data analysis, image processing, simulations, solver.
Collection of utilities based on two basics classes: Matematica and VarData. Matematica) performs math operations on vectors and matrices for smoothing, interpolation, convolution, image processing... VarData) manipulate a structure of points connected by links. Addraw) openGL engine. ElPoly) analyze mechanical properties of polymer and membrane like structures. Addyn) perform molecular dynamics and Monte Carlo simulations and has a solver for 4th oder PDE. Avvis) perform all the operation of Matematica on different sets of data visualized on a Qt graphical interface. ... -
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CAPLET
GDS visualization and parallelized capacitance extraction
Project CAPLET is a capacitance extraction toolkit that extract capacitance at field-solver accuracy. CAPLET can directly handle GDS2 layout files into capacitance matrices in both GUI and command line interfaces. The internal extraction algorithm is specialized for VLSI interconnect structures but not exclusively, as long as the structure is of Manhattan geometry and embedded in a uniform dielectric material. -
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YEI 3-Space Python API
A Python API for interfacing with the YEI 3-Space family.of IMUs.
The YEI 3-Space Sensor Application Programming Interface (API) is a series of functions, classes, and structure definitions designed to make writing applications that utilize the YEI 3-Space family of sensors fast and easy to support. The included module and support files handles message formatting, serialization of commands, conversion of return data to friendly data types, and 3-Space unit management. -
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NLOPredict is a nonlinear optical prediction and data analysis tool. Nonlinear optical measurements can yield information about the structure of crystals, and orientation of molecules at surfaces and interfaces.
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PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data.
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General purpose discrete event simulation (DES) framework for the Python programming language. Khronos gathers ideas from other simulation software and tries to provide a simple and poweful toolset for simulation of discrete systems.
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Guanxi is a robust analysis and simulation application for Social Network Analysts. Guanxi allows researchers in the field to create, import, and export an endless array of networks, analyze their structure, and run custom dynamics over them.
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A Python function library to extract EEG feature from EEG time series in standard Python and numpy data structure. Features include classical spectral analysis, entropies, fractal dimensions, DFA, inter-channel synchrony and order, etc.
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IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
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