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@ersilia-os Ersilia Open Source Initiative

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    276 repositories

    • ersilia

      Public
      The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
      open-sourcedrug-discoveryneglected-tropical-diseaseersiliamodel-hubpythonmachine-learning
      Python
      •
      GNU General Public License v3.0
      •147•224•48•4•Updated Nov 23, 2024Nov 23, 2024

    • zairachem-docker

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Nov 21, 2024Nov 21, 2024

    • eos4e41

      Public
      One fold chemprop antibiotic
      Python
      •
      GNU General Public License v3.0
      •0•1•3•0•Updated Nov 21, 2024Nov 21, 2024

    • eos4e40

      Public
      Predictor of antibiotic activity for small molecules
      Python
      •
      GNU General Public License v3.0
      •5•0•0•0•Updated Nov 21, 2024Nov 21, 2024

    • eos-template

      Public template
      Template repository to add new models to the Ersilia Model Hub
      template
      Python
      •
      GNU General Public License v3.0
      •2•1•6•0•Updated Nov 21, 2024Nov 21, 2024

    • eos4zfy

      Public
      maip-malaria
      Python
      •
      GNU General Public License v3.0
      •0•0•3•0•Updated Nov 21, 2024Nov 21, 2024

    • ersilia-to-cdd

      Public
      Ersilia Adaptor for making uploads to CDD vault for experimental results
      GNU General Public License v3.0
      •0•0•0•0•Updated Nov 19, 2024Nov 19, 2024

    • chemical-library-exploration

      Public
      This simple repository performs a fast exploration of a chemical library
      Python
      •
      GNU General Public License v3.0
      •1•1•0•0•Updated Nov 19, 2024Nov 19, 2024

    • ersilia-model-hub-maintained-inputs

      Public
      This repository contains maintained input data to be used in the Ersilia Model Hub precalculations
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Nov 19, 2024Nov 19, 2024

    • ersilia-pack

      Public
      Module to pack Ersilia models with FastAPI
      Python
      •
      GNU General Public License v3.0
      •6•1•5•0•Updated Nov 18, 2024Nov 18, 2024

    • eos9uqy

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Nov 18, 2024Nov 18, 2024

    • eos8ub5

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Nov 18, 2024Nov 18, 2024

    • eos3dq3

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Nov 18, 2024Nov 18, 2024

    • olinda

      Public
      Chemistry model distillation, based on 1024-dimensional embeddings
      Python
      •
      GNU General Public License v3.0
      •1•4•0•0•Updated Nov 18, 2024Nov 18, 2024

    • zaira-chem

      Public
      Automated QSAR based on multiple small molecule descriptors
      automlqsarmachine-learning
      Python
      •
      GNU General Public License v3.0
      •11•30•14•0•Updated Nov 18, 2024Nov 18, 2024

    • chembl-binary-tasks

      Public
      A repository to generate bioassay datasets from ChEMBL ready for downstream AI/ML modelling
      Python
      •
      GNU General Public License v3.0
      •1•2•2•0•Updated Nov 18, 2024Nov 18, 2024

    • ersilia-stats

      Public
      Collection of statistics from the Ersilia open source software tools
      Python
      •
      GNU General Public License v3.0
      •0•1•3•2•Updated Nov 14, 2024Nov 14, 2024

    • ersilia-assistant

      Public
      A chat assistant to help you design experimental workflows in drug discovery using Ersilia models with ease!
      Python
      •
      GNU General Public License v3.0
      •0•4•7•0•Updated Nov 14, 2024Nov 14, 2024

    • anpdb-annotation

      Public
      Annotation of the African Natural Products Database using the Ersilia Model Hub
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Nov 13, 2024Nov 13, 2024

    • aws-utils

      Public
      Utility scripts to interact with AWS
      HCL
      •
      GNU General Public License v3.0
      •0•0•4•0•Updated Nov 13, 2024Nov 13, 2024

    • olinda-tdc

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Nov 13, 2024Nov 13, 2024

    • eos4djh

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•2•0•Updated Nov 11, 2024Nov 11, 2024

    • eos2db3

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Nov 11, 2024Nov 11, 2024

    • ersilia-self-service

      Public
      Run Ersilia Model Hub models on GitHub Actions
      Python
      •
      GNU General Public License v3.0
      •1•1•87•0•Updated Nov 11, 2024Nov 11, 2024

    • eos9gg2

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Nov 9, 2024Nov 9, 2024

    • eos3mk2

      Public
      Python
      •
      GNU General Public License v3.0
      •1•0•1•0•Updated Nov 6, 2024Nov 6, 2024

    • .github

      Public
      Ersilia Organization Profile
      GNU General Public License v3.0
      •0•0•0•0•Updated Nov 4, 2024Nov 4, 2024

    • sars-cov-2-chemspace

      Public
      This repository explores the chemical space associated with SARS-CoV-2 according to manually curated data at UB-CeDD
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Oct 26, 2024Oct 26, 2024

    • model-inference-pipeline

      Public
      Ersilia's batch inference pipeline on the AWS cloud
      Python
      •
      MIT License
      •0•2•9•0•Updated Oct 25, 2024Oct 25, 2024

    • eos2gw4

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Oct 24, 2024Oct 24, 2024