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@DeepSynthesis

DeepSynthesis

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  1. ReactionSeek ReactionSeek Public

    Python 37 9

  2. HSPOC HSPOC Public

    Highly Precise Prediction of Micro- and Supra-pKa Based on 3D Descriptors Integrating Non-Covalent Interactions

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  3. etherReactionOptimization etherReactionOptimization Public

    AI guided new reaction discovery and optimization pipeline for synergistic cobalt enamine catalysis

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  4. SynAD SynAD Public

    Synthetic Applicability Domain (SynAD): Navigating Chemical Space for Reliable AI-Driven Reaction Prediction

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  5. ScopeMap ScopeMap Public

    ScopeMap, an iterative, human-in-the-loop workflow designed to efficiently map functional limits rather than merely maximizing performance.

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  6. .github .github Public

    Our goal is to integrate artificial intelligence technology into the science of chemistry, with a particualr focus on the investigation of chemical property, reactivity, and selectivity as well as …

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