https://github.com/camsai/notebooks

CAMSAI Notebooks provides interactive Jupyter notebooks for AI-driven materials science research. These notebooks demonstrate the use of CAMSAI tools, schemas, and workflows, offering hands-on examples for data validation, materials design, and AI integration to accelerate scientific discovery.
https://github.com/camsai/notebooks

artificial-intelligence chemistry data-science data-standards data-structures data-visualization density-functional-theory machine-learning materials materials-design materials-informatics materials-science modeling-and-simulation molecular-dynamics

Last synced: 20 days ago
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CAMSAI Notebooks provides interactive Jupyter notebooks for AI-driven materials science research. These notebooks demonstrate the use of CAMSAI tools, schemas, and workflows, offering hands-on examples for data validation, materials design, and AI integration to accelerate scientific discovery.

• Host: GitHub
• URL: https://github.com/camsai/notebooks
• Owner: camsai
• Created: 2024-12-13T05:34:21.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-12-13T08:50:42.000Z (over 1 year ago)
• Last Synced: 2025-10-27T10:37:00.819Z (9 months ago)
• Topics: artificial-intelligence, chemistry, data-science, data-standards, data-structures, data-visualization, density-functional-theory, machine-learning, materials, materials-design, materials-informatics, materials-science, modeling-and-simulation, molecular-dynamics
• Language: Jupyter Notebook
• Homepage:
• Size: 9.77 KB
• Stars: 1
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.ipynb

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README

          
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    "# CAMSAI Notebooks\n",

    "\n",

    "## 1. Overview.\n",

    "\n",

    "This repository contains a collection of Jupyter notebooks that demonstrate how to use the CAMSAI toolchain.\n",

    "\n",

    "## 2. Generic Functionality.\n",

    "\n",

    "The following notebooks are available:\n",

    "\n",

    "- [validate_data](validate_data.ipynb): This notebook provides an introduction to data standards.\n",

    "\n",

    "## 3. Specific Functionality.\n",

    "\n",

    "Below, we list the contents per provider.\n",

    "\n",

    "| File                                               | Description |\n",

    "|----------------------------------------------------|---------------------------------------------------- |\n",

    "| [mat3ra/introduction](mat3ra/introduction.ipynb)   | Mat3ra Introduction.\n",

    "| [Examples/Workflow](jarvisnist/introduction.ipynb) | JARVIS NIST Introduction. |\n",

    "\n",

    "\n",

    "## Links\n",

    "\n",

    "- [Mat3ra API Documentation](https://docs.mat3ra.com/)\n",

    "- [JARVIS NIST](https://jarvis.nist.gov/)\n"

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