/tools/MolGen

MolGen

zjunlp/MolGen

186 stars18 forksPythonWebsiteAdded February 4, 2026
summary

MolGen is a tool for domain-agnostic molecular generation that incorporates chemical feedback to optimize molecular properties. It supports de novo molecule generation and fine-tuning for specific properties like QED and logP, making it valuable for molecular design and optimization tasks.

description

[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback

topics

language-modelmolecular-generationpre-trained-language-modelspre-trained-modelmolgenmoleculemolecular-optimizationselfiestargeted-molecular-generationpre-traininggenerationmultitaskhuggingfacepytorchiclr2024

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