/tools/GeminiMol
GeminiMol
Wang-Lin-boop/GeminiMol
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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