Search Results for "data science"
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Showing 481 open source projects for "data science"
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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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Claude Scientific Skills
A set of ready to use Agent Skills for research, science, engineering
Claude Scientific Skills is a large open source collection of ready-to-use scientific capabilities that extend AI coding agents into full research assistants. The project provides more than 170 curated skills covering domains such as genomics, drug discovery, medical imaging, physics, and advanced data analysis. Each skill bundles documentation, examples, and tool integrations so agents can reliably execute complex multi-step scientific workflows. The framework follows the open Agent Skills... -
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PyMC
Bayesian Modeling and Probabilistic Programming in Python
...Built on top of computational tools like Aesara and NumPy, PyMC allows users to define models using intuitive syntax and perform inference using MCMC, variational inference, and other advanced algorithms. It’s widely used in scientific research, data science, and decision modeling. -
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The Missing Semester
The Missing Semester of Your CS Education
The Missing Semester is a course and repository that teaches the engineering skills often skipped in traditional computer science curricula: command-line fluency, shell scripting, editors, version control, debugging, data wrangling, and automation. It includes lecture notes, exercises, and sample solutions that encourage hands-on practice rather than passive reading. The curriculum demystifies tools like bash, vim, git, and make, showing how to combine them into efficient workflows that scale from homework to production systems. ... -
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FairChem
FAIR Chemistry's library of machine learning methods for chemistry
FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations,... -
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Airborne Data Processing and Analysis
Software to processing and analyze of airborne measurements.
...The software methodology used in ADPAA is provided in the peer-review publication: Delene, D. J., Airborne Data Processing and Analysis Software Package, Earth Science Informatics, 4(1), 29-44, 2011, URL: http://dx.doi.org/10.1007/s12145-010-0061-4, DOI: 10.1007/s12145-010-0061-4. -
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Gwyddion
Scanning probe microscopy data visualisation and analysis
A data visualization and processing tool for scanning probe microscopy (SPM, i.e. AFM, STM, MFM, SNOM/NSOM, ...) and profilometry data, useful also for general image and 2D data analysis. -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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HEALPix
Data Analysis, Simulations and Visualization on the Sphere
Software for pixelization, hierarchical indexation, synthesis, analysis, and visualization of data on the sphere. Please acknowledge HEALPix by quoting the web page http://healpix.sourceforge.net (or https://healpix.sourceforge.io) and publication: K.M. Gorski et al., 2005, Ap.J., 622, p.759 Full software documentation available at https://healpix.sourceforge.io/documentation.php Wiki Pages: https://sourceforge.net/p/healpix/wiki/Home Exchanging Data with HEALPix (in FITS files):... -
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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GMAT
General Mission Analysis Tool
The General Mission Analysis Tool (GMAT) is an open-source tool for space mission design and navigation. GMAT is developed by a team of NASA, private industry, and public and private contributors. The GMAT development team is pleased to announce the release of GMAT version R2026a. For a complete list of new features, compatibility changes, and bug fixes, see the R2026a Release Notes in the Users Guide. -
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PyRx - Virtual Screening Tool
Virtual Screening software for Computational Drug Discovery
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes... -
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Asymptote
2D & 3D TeX-Aware Vector Graphics Language
Asymptote is a powerful descriptive vector graphics language for technical drawing, inspired by MetaPost but with an improved C++-like syntax. Asymptote provides for figures the same high-quality typesetting that LaTeX does for scientific text. -
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BioXTAS RAW
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
BioXTAS RAW is a program for analysis of Small-Angle X-ray Scattering (SAXS) data. The software enables: creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF as well as electron density reconstructions using DENSS. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis... -
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using... -
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Mantid Project (www.mantidproject.org)
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LabPlot
Data Visualization and Analysis
LabPlot is a FREE, open source and cross-platform Data Visualization and Analysis software accessible to everyone. -
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Madagascar is a software package for geophysical data processing and reproducible numerical experiments. The package mission is to provide a convenient environment for researchers working with digital image and data processing in geophysics and related fields.
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MCPower
MCPower — simple Monte Carlo power analysis for complex models
MCPower-GUI is a desktop application that provides a graphical interface for the MCPower Monte Carlo power analysis library. It guides users through the full workflow across three tabs: Model setup (formula input with live parsing, CSV data upload with auto-detected variable types, effect size sliders, and correlation editing), Analysis configuration (find power for a given sample size or find the minimum sample size for a target power, with multiple testing correction and scenario... -
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asammdf
Fast Python reader and editor for ASAM MDF / MF4 (Measurement Format)
*asammdf* is a fast Python parser and editor for ASAM (Associtation for Standardisation of Automation and Measuring Systems) MDF / MF4 (Measurement Data Format) files. It supports MDF versions 2 (.dat), 3 (.mdf) and 4 (.mf4). *asammdf* works on Python 2.7, and Python >= 3.4 -
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BioSig is a software library for processing of biomedical signals (EEG, ECG, etc.) with Matlab, Octave, C/C++ and Python. About 50 different data formats are supported.
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WinPython
Portable Scientific Python 2/3 32/64bit Distribution for Windows
WinPython is a free open-source portable distribution of the Python programming language for Windows XP/7/8, designed for scientists, supporting both 32bit and 64bit versions of Python 2 and Python 3. Since September 2014, Developpement has moved to https://winpython.github.io/ -
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A python-based system to diagnosis and make weather maps (wxmap) of numerical weather prediction models using the Grid Analysis and Display System (GrADS) from opengrads.org
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
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Free DELTA
Software tools for processing taxonomic descriptions in DELTA format
The Free DELTA Project is a free, open-source, software alternative for a generic system to the processing of taxonomic descriptions based on the DELTA (DEscription Language for TAxonomy) format.
