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  1. DiffLinker-Evaluation-Pipeline-for-HSP90 DiffLinker-Evaluation-Pipeline-for-HSP90 Public

    A deep learning-based drug discovery pipeline that utilizes DiffLinker (Diffusion-based conditional generative model) to design molecular linkers. The project features a rigorous "Surgical Cut" ben…

    Python 2

  2. AutoChemist AutoChemist Public

    A fault-tolerant, self-correcting drug discovery pipeline. Orchestrates AI agents (Llama-3) and physics engines (AutoDock Vina) using Temporal, Modal, and Groq.

    Python