{"repo":"aiidateam/aiida-workgraph","free":true,"listed":false,"github":"https://github.com/aiidateam/aiida-workgraph","clone":"git clone https://github.com/aiidateam/aiida-workgraph.git","description":"Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.","language":"Python","stars":29,"topics":["aiida","materials-science","nodetree","science","workflow","database","provenance-tracking"],"license":"MIT","category":"databases-storage","readme_excerpt":"AiiDA-WorkGraph A powerful Python library for creating, managing, and executing scalable scientific workflows with automatic data provenance. ----- ✨ Why AiiDA-WorkGraph? AiiDA-WorkGraph empowers researchers and developers to build complex, reproducible workflows with ease. - 🎨 Pythonic Workflow Design : Define workflows using familiar Python functions and decorators. - 🖥️ Interactive GUI : Visualize, monitor, and debug your workflows in real-time with a user-friendly web interface. - 🔗 Automatic Data Provenance : Guarantee scientific reproducibility with zero effort. The complete history of all data and calculations is automatically tracked. - 🚀 Remote & Parallel Execution : Seamlessly offload tasks to remote supercomputers and run them concurrently. - 🧠 Dynamic Control Flow : Build adaptive workflows that respond to data at runtime using standard Python if/else statements and loops. - 🛡️ Checkpointing & Error Handling : Protect long-running workflows from interruptions and build resilient logic to recover from failures. - ⚡ High-Throughput Computing : Built to scale, AiiDA-WorkGraph can efficiently manage thousands of concurrent workflows. - 🧩 Reusable Components : Encapsulate common routines as sub-workflows and easily reuse them in larger, more complex pipelines. ----- 🚀 Getting Started 1\\. Installation First, ensure you have a working AiiDA environment. 2\\. Quick Start Example Let's create a simple workflow to calculate $(x + y) \\times z$. 1️⃣ Define Tasks Use th","default_branch":null,"files":null,"tree":[],"storefront":"/r/aiidateam","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/aiidateam/aiida-workgraph/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."}