JanoschMenke/metis
Python-based GUI to collect Feedback of Chemist in Molecules
This tool helps computational chemists and medicinal chemists evaluate small molecule designs generated by AI models. You input a list of proposed molecules, and it provides an interactive graphical interface to visualize them and collect your expert feedback. The output is a refined dataset of molecules with your ratings, which can then be used to improve the generative chemistry models.
No commits in the last 6 months.
Use this if you need to systematically collect expert feedback on potential drug molecules generated by AI, to guide and enhance your generative chemistry workflows.
Not ideal if you primarily need to perform standard molecular docking or simulation studies, or if you are not working with generative chemistry models.
Stars
53
Forks
13
Language
Python
License
MIT
Category
Last pushed
Oct 15, 2024
Commits (30d)
0
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