A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and checking the druggability with fpocket/Amber.
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Aug 13, 2021 - Python
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fpocket
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A structure-based, resistance-aware pipeline that designs and screens small molecules against covalent and steric resistance mutations. feat. Claude: Life Sciences Hackathon.
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Jul 18, 2026 - Go
Plugin of fpocket software, integrated in the scipion framework
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Aug 19, 2026 - Python
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