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Grayson Lee's Projects

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BANANA (BAsic NeurAl Network for binding Affinity)

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Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)

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The open-source Conversational Platform with built-in language understanding (NLU), beautiful graphical interface and dialog manager. Easily create chatbots and AI-based virtual assistants.

druggps_icml23 icon druggps_icml23

Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"

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EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

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