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nanobind: tiny and efficient C++/Python bindings
DuckDB is a high-performance analytical database system
An example Flight SQL Server implementation - with DuckDB and SQLite back-ends.
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
A mini-app to explore algorithms for generating contours from 3D volumes.
Validator for the Enhanced JSON Schema framework
An information portal for 3D atomic electron tomography data
Repo for the April 10-12 workshop to be held in Berkeley, CA
Package desktop applications as AppImages that run on common Linux-based operating systems, such as RHEL, CentOS, openSUSE, SLED, Ubuntu, Fedora, debian and derivatives. Join #AppImage on irc.liber…
Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data
C++ based gRPC (C++, Python, Ruby, Objective-C, PHP, C#)
A tool for harvesting media files from Open Access articles for upload into Wikimedia Commons
Workbench: A scalable python framework for security research and development teams.
kemia / kemia
Forked from chemhack/jchemhubJavascript Reaction Editor and Cheminformatics Library
Qt MongoDB desktop cheminformatics application - this project is no longer active
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Supermodule containing submodules and external project to build all components
Repository for the Practicing Open Science book.
Desktop integration of high performance computing resources
Avogadro superbuild project, builds Avogadro dependencies and then Avogadro itself
Open quantum processing library, read output files, generate MOs and electron density cubes.