/tools/GeminiMol

GeminiMol

Wang-Lin-boop/GeminiMol

66 stars9 forksPythonWebsiteAdded February 4, 2026
summary

GeminiMol is a molecular representation model that enhances molecular feature extraction by incorporating conformational space profiles. It is designed for applications in drug discovery, including virtual screening, target identification, and quantitative structure-activity relationship (QSAR) modeling.

description

Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.

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