A collection of scientific computing workflows for drug discovery, molecular analysis, and proteomics research. Each workflow is a containerized, modular pipeline with visualization.
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- Virtual screening (by Diego Lima)
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QSAR Modeling Pipeline - ML-based drug binding prediction based on Divya Karade's QSAR model by Divya Karade
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- Protein pocket detection based on Pocketeer from Charlie Harris by Chiral Dev Team
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FEgrow An Open-Source Molecular Builder and Free Energy Preparation Workflow by Koki Shinbara and Chiral Dev Team
$^{silva ✅ potter ✅}$ - Chiral #1 Online Challenge - Molecular Docking
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QSAR Modeling Pipeline - ML-based drug binding prediction by Abdelrahman Mohamed Taha MAHMOUD
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Boltz-2 Structure Prediction by Chiral Dev Team
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BoltzGen Binder Design by Chiral Dev Team
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