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https-github.com-Aouidate-Chemoinformatics-tutos
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Molecules_generated_by-VAE-_AI_METHOD-
Molecules_generated_by-VAE-_AI_METHOD- PublicA program that generates molecules based on a QSAR model within a specified pIC50 range using a VAE (Variational Autoencoder) approach.
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REINVENT4-AI-Molecular-Generation-SAR-Guide
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QSAR-Model-Generation-HPC-Pipeline
QSAR-Model-Generation-HPC-Pipeline PublicAutomated QSAR builder for HPC: auto-compares ECFP / Mordred / merged features, scaffold split, activity cliffs, Y-scrambling and publication figures.
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