GT4SD/gt4sd-core
GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
This toolkit helps scientific researchers accelerate discovery by generating new hypotheses. You input specific scientific problems or targets, and it outputs novel molecular structures, materials, or other scientific concepts for further investigation. It's designed for scientists, researchers, and engineers working in drug discovery, materials science, or related fields.
370 stars. No commits in the last 6 months.
Use this if you need to rapidly explore a vast space of potential solutions and generate innovative candidates for scientific experimentation, like new drug compounds or materials.
Not ideal if you're looking for tools to analyze existing data or validate hypotheses, rather than generate entirely new ones.
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370
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Jupyter Notebook
License
MIT
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Last pushed
Sep 18, 2025
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