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    9 repositories

    • flask-copilot

      Public
      FLASK utility for interactive molecular exploration
      TypeScript
      •
      Other
      •10•6•1•4•Updated Apr 15, 2026Apr 15, 2026

    • LC-Conductor

      Public
      LC Conductor is an agent AI framework optimized for DOE and Livermore Computing
      TypeScript
      •
      Other
      •5•0•0•2•Updated Apr 15, 2026Apr 15, 2026

    • ChARGe

      Public
      Chemistry Augment Reasoning models for Generating molecules and Reactions
      Python
      •
      Other
      •13•8•1•5•Updated Apr 15, 2026Apr 15, 2026

    • flask-tools

      Public
      Collection of tools and MCP servers supporting FLASK Copilot
      Python
      •
      Other
      •5•0•0•2•Updated Apr 6, 2026Apr 6, 2026

    • BOOM

      Public
      Jupyter Notebook
      •
      Other
      •8•12•3•2•Updated Oct 21, 2025Oct 21, 2025

    • aizynthfinder

      Public
      A tool for retrosynthetic planning
      Python
      •
      MIT License
      •175•0•0•0•Updated Oct 11, 2025Oct 11, 2025

    • autogen

      Public
      A programming framework for agentic AI
      Python
      •
      Creative Commons Attribution 4.0 International
      •8.6k•0•0•0•Updated Oct 8, 2025Oct 8, 2025

    • LLNL-10k-Dataset

      Public
      Theoretical Density and Heat of Formation Data For ~10k CHNO molecules
      Apache License 2.0
      •0•1•0•0•Updated May 16, 2025May 16, 2025

    • AI2BMD

      Public
      AI-powered ab initio biomolecular dynamics simulation
      Python
      •
      MIT License
      •82•0•0•0•Updated Feb 18, 2025Feb 18, 2025
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