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StabLyzeGraph
StabLyzeGraph PublicStabLyzeGraph: High-Throughput Screening of Combinatorial Mutations Using Graph Neural Networks
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PyRMD-Studio
PyRMD-Studio PublicAbout PyRMD Studio is an open-source GUI suite democratizing AI for drug discovery. It empowers non-experts to run Ligand-Based and Structure-Based Virtual Screening without coding. By using Butina…
Python
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- PyRMD-Studio Public
About PyRMD Studio is an open-source GUI suite democratizing AI for drug discovery. It empowers non-experts to run Ligand-Based and Structure-Based Virtual Screening without coding. By using Butina clustering, it prevents data leakage while achieving a 3.3-fold screening speedup over previous versions.
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StabLyzeGraph: High-Throughput Screening of Combinatorial Mutations Using Graph Neural Networks
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