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  1. Yaseenchemist Yaseenchemist Public

    Config files for my GitHub profile.

  2. https-github.com-Aouidate-Chemoinformatics-tutos https-github.com-Aouidate-Chemoinformatics-tutos Public

  3. Omixium_YouTube_Channel Omixium_YouTube_Channel Public

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    Tutorial Files

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  4. Molecules_generated_by-VAE-_AI_METHOD- Molecules_generated_by-VAE-_AI_METHOD- Public

    A program that generates molecules based on a QSAR model within a specified pIC50 range using a VAE (Variational Autoencoder) approach.

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  5. REINVENT4-AI-Molecular-Generation-SAR-Guide REINVENT4-AI-Molecular-Generation-SAR-Guide Public

    From zero to ranked candidates: AI de novo drug design with REINVENT4 (RL on HPC) + scaffold-based SAR analysis.

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  6. QSAR-Model-Generation-HPC-Pipeline QSAR-Model-Generation-HPC-Pipeline Public

    Automated QSAR builder for HPC: auto-compares ECFP / Mordred / merged features, scaffold split, activity cliffs, Y-scrambling and publication figures.

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