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    289 repositories

    • ersilia-maintenance

      Public
      This repository contains maintenance workflows for the Ersilia Model Hub
      Python
      •
      GNU General Public License v3.0
      •2•0•3•0•Updated Jun 1, 2025Jun 1, 2025

    • ersilia

      Public
      The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
      open-sourcemachine-learningdrug-discoveryneglected-tropical-diseaseglobal-southmodel-hub
      Python
      •
      GNU General Public License v3.0
      •158•257•34•4•Updated Jun 1, 2025Jun 1, 2025

    • eos6uk5

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•1•Updated May 31, 2025May 31, 2025

    • eos-template

      Public template
      Template repository to add new models to the Ersilia Model Hub
      template
      Python
      •
      GNU General Public License v3.0
      •4•3•0•0•Updated May 31, 2025May 31, 2025

    • eos2be8

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•1•Updated May 31, 2025May 31, 2025

    • eos1579

      Public archive
      Classification of carcinogenic metabolites
      Python
      •
      GNU General Public License v3.0
      •1•2•0•0•Updated May 30, 2025May 30, 2025

    • eos7a04

      Public archive
      Continuous and data driven descriptors
      Python
      •
      GNU General Public License v3.0
      •3•1•0•0•Updated May 30, 2025May 30, 2025

    • chembl-antimicrobial-models

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated May 30, 2025May 30, 2025

    • lazy-qsar

      Public
      A library to build fast QSAR models
      Python
      •
      GNU General Public License v3.0
      •2•5•2•0•Updated May 30, 2025May 30, 2025

    • mtb-targeted-protein-degradation

      Public
      Targeted protein degradation in Mycobacterium Tuberculosis
      HTML
      •
      GNU General Public License v3.0
      •0•3•2•0•Updated May 29, 2025May 29, 2025

    • ai2050-dd-workshop

      Public
      AI/ML tools for drug discovery workshop workshop held in Ghana, September 2024
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated May 29, 2025May 29, 2025

    • eos4qda

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•2•0•Updated May 26, 2025May 26, 2025

    • eos8aox

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated May 23, 2025May 23, 2025

    • ersilia-hub

      Public
      Code for cloud deployment of the Ersilia Model Hub
      GNU General Public License v3.0
      •0•0•0•0•Updated May 22, 2025May 22, 2025

    • eos7asg

      Public
      PADEL physicochemical descriptors
      Python
      •
      GNU General Public License v3.0
      •2•3•1•0•Updated May 22, 2025May 22, 2025

    • ersilia-pack

      Public
      Module to pack Ersilia models with FastAPI
      Python
      •
      GNU General Public License v3.0
      •8•2•2•0•Updated May 22, 2025May 22, 2025

    • eos74km

      Public
      Python
      •
      GNU General Public License v3.0
      •0•1•1•0•Updated May 22, 2025May 22, 2025

    • eos92sw

      Public
      Predicts the toxicity and synthetic availability of small molecules
      Python
      •
      Other
      •2•1•0•0•Updated May 22, 2025May 22, 2025

    • eos1mxi

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated May 22, 2025May 22, 2025

    • eos7w6n

      Public
      Grover embedding for molecular representation
      Python
      •
      GNU General Public License v3.0
      •3•4•0•0•Updated May 22, 2025May 22, 2025

    • eos2thm

      Public
      MolBERT molecular representation
      Python
      •
      GNU General Public License v3.0
      •3•1•0•0•Updated May 22, 2025May 22, 2025

    • eos4avb

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated May 22, 2025May 22, 2025

    • eos9f6t

      Public
      Predicts the inhibitory activity of small molecules on SARS-Cov1 3CLprotease
      Python
      •
      GNU General Public License v3.0
      •2•0•0•0•Updated May 21, 2025May 21, 2025

    • eos2ta5

      Public
      Ligand-based prediction of hERG blockade
      Python
      •
      GNU General Public License v3.0
      •3•2•0•0•Updated May 21, 2025May 21, 2025

    • eos8d8a

      Public
      Mycobacterium tuberculosis membrane permeability of drugs
      Perl
      •
      GNU General Public License v3.0
      •2•1•0•0•Updated May 21, 2025May 21, 2025

    • eos2hbd

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •2•0•0•0•Updated May 21, 2025May 21, 2025

    • eos97yu

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •2•0•1•0•Updated May 21, 2025May 21, 2025

    • chembl-antimicrobial-tasks

      Public
      Get antimicrobial tasks from ChEMBL framed as binary classifications
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•2•2•0•Updated May 21, 2025May 21, 2025

    • eos1af5

      Public
      Explainable AI for Caco-2 cell wall permeability
      Jupyter Notebook
      •
      Other
      •4•3•0•0•Updated May 21, 2025May 21, 2025

    • eos96ia

      Public
      Explainable AI for CYP3A4 inhibition prediction
      Jupyter Notebook
      •
      Other
      •1•0•0•0•Updated May 21, 2025May 21, 2025