mehradans92/dZiner
Chemist AI Agent for Rational Inverse Design of Materials
This tool helps chemists and materials scientists rapidly design new materials with specific desired properties. You provide an initial material structure and the target properties in natural language, and the AI suggests new candidate materials and assesses their chemical feasibility. The output is a list of potential material designs, complete with their predicted properties, for you to review and refine.
No commits in the last 6 months.
Use this if you need to invent new molecules or materials, such as MOFs or peptides, by systematically exploring chemical space to achieve a specific performance goal, like high CO2 adsorption or low hemolytic activity.
Not ideal if you already have a material and need to analyze its existing properties or simulate its behavior under various conditions, rather than designing new ones from scratch.
Stars
43
Forks
7
Language
Jupyter Notebook
License
Apache-2.0
Category
Last pushed
Mar 10, 2025
Commits (30d)
0
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