Skip to content

Popular repositories Loading

  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.

    4 1

  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 …

    1

  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

    Python 1

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

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

    Python

  5. EuropinSummerSchool2023 EuropinSummerSchool2023 Public

    EUROPIN Summer School 2023 Workshop Material

Repositories

Showing 5 of 5 repositories
  • 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

    Pharmacelera/Query-models-to-3DLBVS’s past year of commit activity
    Python 0 1 0 0 Updated Feb 27, 2024
  • EuropinSummerSchool2023 Public

    EUROPIN Summer School 2023 Workshop Material

    Pharmacelera/EuropinSummerSchool2023’s past year of commit activity
    0 MIT 0 0 0 Updated Aug 28, 2023
  • 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 novel hits

    Pharmacelera/Screening_sEH_inhibitors’s past year of commit activity
    1 0 0 0 Updated Jul 14, 2023
  • 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.

    Pharmacelera/Molecular-Similarity-and-Docking’s past year of commit activity
    4 1 0 0 Updated Feb 23, 2023
  • predictive-model-coloring Public

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

    Pharmacelera/predictive-model-coloring’s past year of commit activity
    Python 0 BSD-3-Clause 0 0 0 Updated Nov 8, 2022

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…