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  1. KANO KANO Public

    Forked from HICAI-ZJU/KANO

    Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".

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  2. MGCVAE MGCVAE Public

    Forked from mhlee216/MGCVAE

    Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jcim.2c00487)

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  3. MolFormer MolFormer Public

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    Repository for MolFormer

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  4. Molecular-Generation-Diffusion Molecular-Generation-Diffusion Public

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  5. e3_diffusion_for_molecules e3_diffusion_for_molecules Public

    Forked from ehoogeboom/e3_diffusion_for_molecules

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  6. GAT-sweetpred GAT-sweetpred Public

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