Popular repositories

1. Molecular-Similarity-and-Docking Molecular-Similarity-and-Docking Public

   Data sets employed in the work titled: Assessing the Performance of Mixed Strategies to Combine Lipophilic Molecular Similarity and Docking in Virtual Screening.

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2. Screening_sEH_inhibitors Screening_sEH_inhibitors Public

   Data sets employed in the work titled: Screening and biological evaluation of soluble epoxide hydrolase (sEH) inhibitors: Assessing the role of hydrophobicity in the pharmacophore-guided search of …

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3. Query-models-to-3DLBVS Query-models-to-3DLBVS Public

   Data set (DUDE+ Diverse) and scripts from the article: On the relevance of query definition in the performance of 3D ligand-based virtual screening

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4. predictive-model-coloring predictive-model-coloring Public

   Python scripts and Jupyter Notebook to visualize molecular predictions using atom/fragment coloring

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5. EuropinSummerSchool2023 EuropinSummerSchool2023 Public

   EUROPIN Summer School 2023 Workshop Material