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    279 repositories

    • zairachem-docker

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Dec 27, 2024Dec 27, 2024

    • eos-template

      Public template
      Template repository to add new models to the Ersilia Model Hub
      template
      Python
      •
      GNU General Public License v3.0
      •4•1•9•0•Updated Dec 27, 2024Dec 27, 2024

    • 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
      •148•228•42•2•Updated Dec 26, 2024Dec 26, 2024

    • ersilia-pack

      Public
      Module to pack Ersilia models with FastAPI
      Python
      •
      GNU General Public License v3.0
      •8•2•1•0•Updated Dec 26, 2024Dec 26, 2024

    • ersilia-stats

      Public
      Collection of statistics from the Ersilia open source software tools
      Python
      •
      GNU General Public License v3.0
      •0•2•1•0•Updated Dec 25, 2024Dec 25, 2024

    • ersilia-maintenance

      Public
      This repository contains maintenance workflows for the Ersilia Model Hub
      Python
      •
      GNU General Public License v3.0
      •2•0•1•1•Updated Dec 23, 2024Dec 23, 2024

    • eos74km

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Dec 23, 2024Dec 23, 2024

    • eos3b5e

      Public
      Molecular weight calculation
      Python
      •
      GNU General Public License v3.0
      •7•0•1•0•Updated Dec 23, 2024Dec 23, 2024

    • aws-utils

      Public
      Utility scripts to interact with AWS
      HCL
      •
      GNU General Public License v3.0
      •0•0•6•0•Updated Dec 23, 2024Dec 23, 2024

    • eos3ujl

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Dec 19, 2024Dec 19, 2024

    • eos4djh

      Public
      Python
      •
      GNU General Public License v3.0
      •0•1•2•0•Updated Dec 19, 2024Dec 19, 2024

    • ersilia-self-service

      Public
      Run Ersilia Model Hub models on GitHub Actions
      Python
      •
      GNU General Public License v3.0
      •1•2•137•0•Updated Dec 19, 2024Dec 19, 2024

    • eos2r5a

      Public
      Retrosynthetic accessibility score
      Python
      •
      Other
      •5•1•0•0•Updated Dec 19, 2024Dec 19, 2024

    • eos7w6n

      Public
      Grover embedding for molecular representation
      Python
      •
      GNU General Public License v3.0
      •2•4•1•0•Updated Dec 19, 2024Dec 19, 2024

    • eos4u6p

      Public
      Chemical Checker 25 bioactivity signatures
      Python
      •
      GNU General Public License v3.0
      •2•1•1•0•Updated Dec 19, 2024Dec 19, 2024

    • eos2gw4

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Dec 19, 2024Dec 19, 2024

    • eos3cf4

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Dec 19, 2024Dec 19, 2024

    • eos4e40

      Public
      Predictor of antibiotic activity for small molecules
      Python
      •
      GNU General Public License v3.0
      •5•2•0•0•Updated Dec 19, 2024Dec 19, 2024

    • eos4avb

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Dec 19, 2024Dec 19, 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 Dec 18, 2024Dec 18, 2024

    • eos4e41

      Public archive
      One fold chemprop antibiotic
      Python
      •
      GNU General Public License v3.0
      •0•1•3•0•Updated Dec 18, 2024Dec 18, 2024

    • eos5axz

      Public
      Morgan count fingerprints with radius 3
      Python
      •
      GNU General Public License v3.0
      •3•1•0•0•Updated Dec 18, 2024Dec 18, 2024

    • eos7jio

      Public
      RDKIT path-based fingerprints
      Python
      •
      GNU General Public License v3.0
      •2•1•0•0•Updated Dec 18, 2024Dec 18, 2024

    • eos8aa5

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

    • multitask-classifier-qsar

      Public
      Default multi-task classifier for QSAR modeling for the Ersilia Model Hub
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Dec 16, 2024Dec 16, 2024

    • chem-sampler

      Public
      This is an experimental repository to sample the chemical space around a given seed molecule. It uses multiple models from the Ersilia Model Hub
      Python
      •
      GNU General Public License v3.0
      •1•1•3•0•Updated Dec 16, 2024Dec 16, 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 Dec 5, 2024Dec 5, 2024

    • eos80ch

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Dec 4, 2024Dec 4, 2024

    • eos4zfy

      Public
      maip-malaria
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Nov 28, 2024Nov 28, 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