Marcus D. Hanwell
@cryos
🏢 Kitware
🌎 Rexford, NY, USA
https://cryos.net/
@OpenChemistry projects, including Avogadro and Tomviz, open science advocate, mainly using C++, Python, CMake, HTML5
HackerList Ranks™
Stacks / Topics
openchemistry 👨💻🚀 447Supermodule containing submodules and external project to build all components |
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openchemistrySupermodule containing submodules and external project to build all components |
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tomviz 👨💻🚀 1383Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data |
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tomvizCross platform, open source application for the processing, visualization, and analysis of 3D tomography data |
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tomviz-superbuild 👨💻🚀 325Superbuild to make packaging simpler for Tomviz |
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tomviz-superbuildSuperbuild to make packaging simpler for Tomviz |
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avogadro 👨💻🚀 1165Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
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avogadroAvogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
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chemicaljson 👨💻🚀 23Development of the Chemical JSON data representation |
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chemicaljsonDevelopment of the Chemical JSON data representation |
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avogadroapp 👨💻🚀 297Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
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avogadroappAvogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
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molequeue 👨💻🚀 290Desktop integration of high performance computing resources |
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molequeueDesktop integration of high performance computing resources |
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avogadrolibs 👨💻🚀 1098Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
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avogadrolibsAvogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
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avogadrodata 👨💻🚀 39Repository for support data used by the Open Chemistry projects (including Avogadro 2) |
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avogadrodataRepository for support data used by the Open Chemistry projects (including Avogadro 2) |
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openqube 👨💻🚀 33Open quantum processing library, read output files, generate MOs and electron density cubes. |
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openqubeOpen quantum processing library, read output files, generate MOs and electron density cubes. |
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vtk-modularization 👨💻🚀 15Scripts for VTK modularization |
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vtk-modularizationScripts for VTK modularization |
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angohr 👨💻🚀 22Experiments with C++20, modules, packaging |
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angohrExperiments with C++20, modules, packaging |
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mongochem 👨💻🚀 163Qt MongoDB desktop cheminformatics application - this project is no longer active |
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mongochemQt MongoDB desktop cheminformatics application - this project is no longer active |
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qmicroscope 👨💻🚀 26You probably don't want to use this yet... |
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qmicroscopeYou probably don't want to use this yet... |
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tomviztutorial 👨💻🚀 24Tutorial slides on the use of Tomviz |
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tomviztutorialTutorial slides on the use of Tomviz |
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workflow-testing 👨💻🚀 32Just testing out workflow stuff... |
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workflow-testingJust testing out workflow stuff... |
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databroker-server 👨💻🚀 17HTTP server exposing the DataBroker API in a language agnostic way |
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databroker-serverHTTP server exposing the DataBroker API in a language agnostic way |
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databroker-client 👨💻🚀 8A web client for DataBroker server using TypeScript, React and Material UI |
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databroker-clientA web client for DataBroker server using TypeScript, React and Material UI |
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AvogadroVTK 👨💻🚀 8Avogadro VTK extension, primarily using the volume rendering from VTK to look at electronic structure |
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AvogadroVTKAvogadro VTK extension, primarily using the volume rendering from VTK to look at electronic structure |
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QUI 👨💻🚀 5The Q-Chem User Interface |
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QUIThe Q-Chem User Interface |
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tomoco 👨💻🚀 3An experimental Qt-based GUI developed in Python for data acquisition at NSLS-II |
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tomocoAn experimental Qt-based GUI developed in Python for data acquisition at NSLS-II |
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mongochemclient 👨💻🚀 133Web client code for the MongoChem project |
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mongochemclientWeb client code for the MongoChem project |
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tomvizsuper 👨💻🚀 9A developer-centric superbuild for Tomviz |
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tomvizsuperA developer-centric superbuild for Tomviz |
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avogadro-swireengine 👨💻🚀 6A simple wire engine plugin example project built against the installed Avogadro library |
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avogadro-swireengineA simple wire engine plugin example project built against the installed Avogadro library |
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qnetworktoy 👨💻🚀 4A toy example using C++14, Qt 5 and hitting supplied URLs to echo data back |
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qnetworktoyA toy example using C++14, Qt 5 and hitting supplied URLs to echo data back |
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reprotomo2021 👨💻🚀 2Talk for Computational Imaging track 2021 |
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reprotomo2021Talk for Computational Imaging track 2021 |
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BookBuilder 👨💻🚀 1Repository for building books from the open chapters |
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BookBuilderRepository for building books from the open chapters |
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cppx 👨💻🚀 1Just exploration of some C++ with my son, likely nothing of too much interest to the wider world |
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cppxJust exploration of some C++ with my son, likely nothing of too much interest to the wider world |
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jupyter-examples 👨💻🚀 10Provide some example JupyterLab notebooks showing off independent Open Chemistry components |
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jupyter-examplesProvide some example JupyterLab notebooks showing off independent Open Chemistry components |
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tomvizweb 👨💻🚀 9Tomviz web code supporting the Tomviz desktop application for web export of data |
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tomvizwebTomviz web code supporting the Tomviz desktop application for web export of data |
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mongochemserver 👨💻🚀 80Server code for MongoChem chemical data |
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mongochemserverServer code for MongoChem chemical data |
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metasearch 👨💻🚀 16Search client capable of searching multiple data repositories |
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metasearchSearch client capable of searching multiple data repositories |
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bluesky-webclient 👨💻🚀 36A React Material UI based web client developed in TypeScript to enable acquisition of data on the web with bluesky |
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bluesky-webclientA React Material UI based web client developed in TypeScript to enable acquisition of data on the web with bluesky |
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avogenerators 👨💻🚀 7Python input file generators for Avogadro 2 |
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avogeneratorsPython input file generators for Avogadro 2 |
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html-molecule 👨💻🚀 5Simple examples of using the Open Chemistry HTML molecule tags to visualize data statically |
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html-moleculeSimple examples of using the Open Chemistry HTML molecule tags to visualize data statically |
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MetaForge 👨💻🚀 14HyperThough File Uploading using PySide2/Qt5 |
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MetaForgeHyperThough File Uploading using PySide2/Qt5 |
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bluesky-pods 👨💻🚀 13Very experimental podman scripts for running bluesky and friends in a pod. |
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bluesky-podsVery experimental podman scripts for running bluesky and friends in a pod. |
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mongochemdeploy 👨💻🚀 30Scripts to install/deploy the MongoChem server/web client |
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mongochemdeployScripts to install/deploy the MongoChem server/web client |
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VTK 👨💻🚀 1972Mirror of Visualization Toolkit repository |
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VTKMirror of Visualization Toolkit repository |
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hexrdgui 👨💻🚀 77Qt5 PySide2 based GUI for the HEXRD library. |
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hexrdguiQt5 PySide2 based GUI for the HEXRD library. |
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materialsdatabank 👨💻🚀 14An information portal for 3D atomic electron tomography data |
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materialsdatabankAn information portal for 3D atomic electron tomography data |
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bluesky-widgets 👨💻🚀 18Components for graphical applications that interact with bluesky libraries |
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bluesky-widgetsComponents for graphical applications that interact with bluesky libraries |
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QtTesting 👨💻🚀 7This is a mirror of the Gitlab repository. Please use Gitlab for PRs and Issues. |
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QtTestingThis is a mirror of the Gitlab repository. Please use Gitlab for PRs and Issues. |
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openbabel 👨💻🚀 85Open Babel is a chemical toolbox designed to speak the many languages of chemical data. |
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openbabelOpen Babel is a chemical toolbox designed to speak the many languages of chemical data. |
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langmuir 👨💻🚀 21Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells |
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langmuirLangmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells |
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QtTesting 👨💻🚀 14Copy of QtTesting |
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QtTestingCopy of QtTesting |
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meetings 👨💻🚀 14Products from Working towards Sustainable Software for Science: Practice and Experiences (WSSSPE) activities |
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meetingsProducts from Working towards Sustainable Software for Science: Practice and Experiences (WSSSPE) activities |
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bluesky-live 👨💻🚀 2EXPERIMENTAL components for creating and using streaming data |
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bluesky-liveEXPERIMENTAL components for creating and using streaming data |
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QCSchema 👨💻🚀 2A Schema for Quantum Chemistry |
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QCSchemaA Schema for Quantum Chemistry |
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N2SNUserTools 👨💻🚀 1User tools for the NSLS-II Science Network. Report issues to https://jira.nsls2.bnl.gov/projects/N2SNUT |
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N2SNUserToolsUser tools for the NSLS-II Science Network. Report issues to https://jira.nsls2.bnl.gov/projects/N2SNUT |
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stempy 👨💻🚀 10Toolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/ |
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stempyToolkit for 4D STEM processing on HPC using a Python interface and C++ engine. https://stempy.readthedocs.io/ |
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gflags-feedstock 👨💻🚀 1A conda-smithy repository for gflags. |
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gflags-feedstockA conda-smithy repository for gflags. |
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avogadro-ugm2018 👨💻🚀 1Materials for the 2018 Avogadro Users Group Meeting |
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avogadro-ugm2018Materials for the 2018 Avogadro Users Group Meeting |
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xmidas 👨💻🚀 3MIDAS (Multimodal Image Data Analysis Software) |
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xmidasMIDAS (Multimodal Image Data Analysis Software) |
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profile_collection 👨💻🚀 1Collection ipython profile |
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profile_collectionCollection ipython profile |
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VisItBridge 👨💻🚀 10Copy of VisItBridge |
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VisItBridgeCopy of VisItBridge |
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oc-web-components 👨💻🚀 5Web components supporting the Open Chemistry project |
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oc-web-componentsWeb components supporting the Open Chemistry project |
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CMP 👨💻🚀 3CMake macros and project setup scripts |
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CMPCMake macros and project setup scripts |
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nsls2-api 👨💻🚀 1NSLS-II API |
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nsls2-apiNSLS-II API |
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mongochemweb 👨💻🚀 1Web components for the MongoChemWeb project, part of the Open Chemistry project |
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mongochemwebWeb components for the MongoChemWeb project, part of the Open Chemistry project |
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TomvizToolbox 👨💻🚀 1DREAM3D Plugin to remote control Tomviz (http://www.tomviz.org) |
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TomvizToolboxDREAM3D Plugin to remote control Tomviz (http://www.tomviz.org) |
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bluesky-slides 👨💻🚀 1a reveal.js slide presentation about bluesky/ophyd/databroker |
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bluesky-slidesa reveal.js slide presentation about bluesky/ophyd/databroker |
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tiled 👨💻🚀 2This is an experimental prototype. |
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tiledThis is an experimental prototype. |
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bluesky.github.io 👨💻🚀 2project-wide landing page published at blueskyproject.io using GitHub Pages |
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bluesky.github.ioproject-wide landing page published at blueskyproject.io using GitHub Pages |
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databroker 👨💻🚀 6Unified API pulling data from multiple sources |
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databrokerUnified API pulling data from multiple sources |
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bluesky 👨💻🚀 5experiment orchestration and data acquisition |
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blueskyexperiment orchestration and data acquisition |
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bluesky-queueserver 👨💻🚀 1Server for queueing plans |
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bluesky-queueserverServer for queueing plans |
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event-model 👨💻🚀 1data model for event-based data collection and analysis |
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event-modeldata model for event-based data collection and analysis |
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tomopy 👨💻🚀 1Tomographic Reconstruction in Python |
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tomopyTomographic Reconstruction in Python |
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psi4 👨💻🚀 1Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python |
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psi4Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python |
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ITK 👨💻🚀 17Insight Toolkit (ITK) -- Official Repository. ITK builds on a proven, spatially-oriented architecture for processing, segmentation, and registration of scientific images in two, three, or more dimensions. |
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ITKInsight Toolkit (ITK) -- Official Repository. ITK builds on a proven, spatially-oriented architecture for processing, segmentation, and registration of scientific images in two, three, or more dimensions. |
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SIMPL 👨💻🚀 3C++ library for managing, archiving and analyzing multimodal data in many dimensions |
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SIMPLC++ library for managing, archiving and analyzing multimodal data in many dimensions |
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DREAM3D 👨💻🚀 3Data Analysis program and framework for materials science data analytics, based on the managing framework SIMPL framework. |
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DREAM3DData Analysis program and framework for materials science data analytics, based on the managing framework SIMPL framework. |
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girder 👨💻🚀 1A data management platform for the web, developed by Kitware |
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girderA data management platform for the web, developed by Kitware |
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SMTK 👨💻🚀 3Simulation Modeling Tool Kit |
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SMTKSimulation Modeling Tool Kit |
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fox 👨💻🚀 1A Fortran XML library |
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foxA Fortran XML library |
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eigen 👨💻🚀 1Git conversion of the Eigen respository, largely for superbuild projects |
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eigenGit conversion of the Eigen respository, largely for superbuild projects |
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velox 👨💻🚀 3A composable and fully extensible C++ execution engine library for data management systems. |
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veloxA composable and fully extensible C++ execution engine library for data management systems. |
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cudf 👨💻🚀 1cuDF - GPU DataFrame Library |
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cudfcuDF - GPU DataFrame Library |
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blog 👨💻🚀 123Source for my Hugo based blog |
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blogSource for my Hugo based blog |
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tomvizdocs 👨💻🚀 25Tomviz documentation hosted on readthedocs.io |
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4
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tomvizdocsTomviz documentation hosted on readthedocs.io |
25
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0
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4
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cryos 👨💻🚀 10More details about me and what I am up to |
10
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cryosMore details about me and what I am up to |
10
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0
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0
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pybind11 👨💻🚀 1Seamless operability between C++11 and Python |
1
15960
2123
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pybind11Seamless operability between C++11 and Python |
1
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15960
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2123
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lfs 👨💻🚀 5Testing git-lfs |
5
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lfsTesting git-lfs |
5
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0
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0
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avogadro-squared 👨💻🚀 23Avogadro superbuild project, builds Avogadro dependencies and then Avogadro itself |
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avogadro-squaredAvogadro superbuild project, builds Avogadro dependencies and then Avogadro itself |
23
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8
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6
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PracticingOpenScience 👨💻🚀 3Repository for the Practicing Open Science book. |
3
5
1
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PracticingOpenScienceRepository for the Practicing Open Science book. |
3
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5
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1
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5
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5
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5
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avogadro-super 👨💻🚀 13First attempt at a Git super project - contains Avogadro and OpenBabel |
13
1
0
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avogadro-superFirst attempt at a Git super project - contains Avogadro and OpenBabel |
13
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1
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0
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tomviz 👨💻🚀 3Tomviz conda environment |
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0
1
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tomvizTomviz conda environment |
3
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0
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arrow 👨💻🚀 2Apache Arrow is a multi-language toolbox for accelerated data interchange and in-memory processing |
2
13402
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arrowApache Arrow is a multi-language toolbox for accelerated data interchange and in-memory processing |
2
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13402
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3285
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What is CMake equivalent of 'configure --prefix=DIR && make all install '? | |||||
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Compile other external libraries (without CMakeLists.txt) with CMake | |||||
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How to build several configurations at once with CMake? | |||||
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Working with Multiple Projects in CMake | |||||
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Cmake on Windows doesn't add shared library paths (works on linux) | |||||
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Link my shared library to another (CMAKE) | |||||
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How to make the code flow without closing the VTK render window? | |||||
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How to disable CPACK_PACKAGE_VERSION_PATCH in CMakeLists.txt? | |||||
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How to build VTK for iPhone? | |||||
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Making a cross platform library with CMake? | |||||
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How to switch from VS9 to VS10 for NMake with CMake | |||||
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Ctest/CDash workflow : deploying nightly builds | |||||
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vtkSmartPointer with Android | |||||
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Development environment to use/learn VTK with C++ | |||||
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${QT_LIBRARIES} in cmake | |||||
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add_definitions vs. configure_file | |||||
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Can i use VTK+Qt for creating my Android applications? | |||||
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CMake basic usage | |||||
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Output Include Paths and CMake | |||||
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Handling multiple FIND_PACKAGE calls in CMake | |||||
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no override found for 'vtkPolyDataMapper' | |||||
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CMake and CTest: How to make target "Nightly" actually build the tests | |||||
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In VTK, is it possible to render a plot to an RGB buffer? | |||||
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What does VTK 5.6.1 implement OpenGL Version? | |||||
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CMake: how to determine all the .DLL/.SO files that are need for an executable? | |||||
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Flipping the Y axis in vtk | |||||
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QtCreator and "Run CMake" | |||||
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C++ Library for 3D Monitor Display | |||||
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cmake failed to detect gcc4.7 | |||||
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How to Debug Following Program in Xcode |