{"repo":"aiidateam/aiida-core","free":true,"listed":false,"github":"https://github.com/aiidateam/aiida-core","clone":"git clone https://github.com/aiidateam/aiida-core.git","description":"The official repository for the AiiDA code","language":"Python","stars":577,"topics":["aiida","workflow","workflow-engine","provenance","database","ssh","scheduler","data-provenance","workflows","computational-science"],"license":null,"category":"workflow-automation","readme_excerpt":"AiiDA (www.aiida.net) is a workflow manager for computational science with a strong focus on provenance, performance and extensibility. ----- ---------------------------------------------------------------------------- Latest release Getting help Build status Benchmarks Activity Community Features - Workflows: Write complex, auto-documenting workflows in python, linked to arbitrary executables on local and remote computers. The event-based workflow engine supports tens of thousands of processes per hour with full checkpointing. - Data provenance: Automatically track inputs, outputs & metadata of all calculations in a provenance graph for full reproducibility. Perform fast queries on graphs containing millions of nodes. - HPC interface: Move your calculations to a different computer by changing one line of code. AiiDA is compatible with schedulers like SLURM, PBS Pro, torque, SGE or LSF out of the box. - Plugin interface: Extend AiiDA with plugins for new simulation codes (input generation & parsing), data types, schedulers, transport modes and more. - Open Science: Export subsets of your provenance graph and share them with peers or make them available online for everyone on the Materials Cloud. - Open source: AiiDA is released under the MIT open source license Installation Please see AiiDA's documentation. How to contribute The AiiDA team appreciates help from a wide range of different backgrounds. Small improvements of the documentation or minor bug fixes are always welcome","default_branch":null,"files":null,"tree":[],"storefront":"/r/aiidateam","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/aiidateam/aiida-core/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}