Search Results for "data science"
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Showing 1730 open source projects for "data science"
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Build Agents and Models on One PlatformGemini Enterprise Agent Platform is Google Cloud's comprehensive platform for developers to build, scale, govern, and optimize agents and models. Choose from Google's most advanced models and third-party models like Anthropic's Claude Model Family.
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Stop Cyber Threats with VM-Series Next-Gen Firewall on AzureGain integrated visibility across all traffic in a single pass. Deploy Palo Alto Networks VM-Series to determine application identity and content while automating security policy updates via rich APIs.
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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. ... -
Host LLMs in Production With On-Demand GPUsDeploy your model, get an endpoint, pay only for compute time. No GPU provisioning or infrastructure management required.
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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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WxTools (Weather Data Tools)
This package collects Fine Offset and Oregon Scientific weather data.
WxTools (Weather Data Tool Suite) is a collection of software for collecting and displaying weather data from various weather stations. The software works with the Fine Offset WH290 and similar models (including clones such as the Pro-Signal PSG04173). It also works with the Oregon Scientific WMR180 weather station (and probably similar models such as the WMR88 and WMR100) as well as the older WMR928. Sample weather data is provided. -
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PSRCHIVE is an application suite and development library for use in the storage and analysis of pulsar astronomical data. It includes an extensive range of algorithms and tools commonly used in a wide variety of experiments.
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gnuplot
A portable, multi-platform, command-line driven graphing utility
A famous scientific plotting package, features include 2D and 3D plotting, a huge number of output formats, interactive input or script-driven options, and a large set of scripted examples. -
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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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Data Envelopment Analysis using Stata
Unified Data Envelopment Analysis commands for Stata
DEAS provides Data Envelopment Analysis tools for Stata. Version 2.0 is a major update centered on a unified dea command for Stata 16 or later. It consolidates sixteen DEA model families into one interface, keeps backward compatibility with the original inputs = outputs syntax, and adds a fast Mata two-phase revised simplex engine alongside Stata's LinearProgram() IPM engine. The package supports radial technical efficiency (CCR/BCC), SBM, additive model, radial and SBM super-efficiency,... -
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Elmer finite element software
Open source finite element software for multiphysical problems
Elmer is a finite element software for numerical solution of partial differential equations and multiphysical problems. It includes models of structural mechanics, fluid dynamics, heat transfer, electromagnetics etc. Elmer home is www.csc.fi/elmer -
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Skim
A PDF Reader and Note-taker for OS X
Skim is a PDF reader and note-taker for OS X. It is designed to help you read and annotate scientific papers in PDF, but is also great for viewing any PDF file. Skim requires OS X 10.10 or higher. -
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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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luscus
molecular editor and viewer
Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical... -
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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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Mantid Project (www.mantidproject.org)
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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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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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nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. The nmrshiftdb2 software is open source, the data is published under an open content license. The core of nmrshitdb2 are fully assigned spectra with raw data and peak lists (we have pure peak lists as well). Those datasets are peer reviewed by a...
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Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
