Shypd.aiThe largest open index of AI toolsAiiDA is an open-source workflow manager for computational science that focuses on provenance, performance, and extensibility. It enables automated, reproducible workflows and data provenance tracking for scientific research.
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AiiDA (Automated Interactive Infrastructure and Database for computational science) is a powerful open-source workflow manager designed for computational science. It emphasizes robust data provenance tracking, high performance, and extensibility, allowing researchers to manage complex computational workflows efficiently. Key features include the ability to write complex, auto-documenting workflows in Python, an event-based workflow engine supporting thousands of processes per hour with full checkpointing, and automatic tracking of inputs, outputs, and metadata for full reproducibility. AiiDA also offers a flexible HPC interface compatible with various schedulers like SLURM and PBS Pro, a plugin interface for extending functionality with new simulation codes and data types, and tools for open science, enabling the export and sharing of provenance graphs.
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