The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.

This repository contains instructions for Outreachy contributors who want to collaborate in Ersilia's next internship round.

Module to pack Ersilia models with FastAPI

Template repository to add new models to the Ersilia Model Hub

A chat assistant to help you design experimental workflows in drug discovery using Ersilia models with ease!

Invisible Cities (iii): Ersilia [for ensemble] (to Ensemble Dal Niente)

A lake of precalculated properties of biomedical entities based on the Ersilia Model Hub

Ersilia's batch inference pipeline on the AWS cloud

Run Ersilia Model Hub models on GitHub Actions

This is an introductory course to AI/ML applied to drug discovery

This is an experimental repository to sample the chemical space around a given seed molecule. It uses multiple models from the Ersilia Model Hub

Website for the Ersilia Model Hub

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Ersilia Book repository

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Images and figures used by Ersilia in the website, social media and presentations

Streamlit-based app as a GUI for the Ersilia Model Hub

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Claude Code plugin for incorporating ML models into the Ersilia Model Hub

This repository contains the benchmark data for ersilia's autoML tools

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Notebooks and scripts to produce the analysis contained within the primary Ersilia Model Hub paper

Nearest neighbour search for the Ersilia Model Hub

This simple tool produces GIF files for collections of compounds, to be used in Ersilia presentations

Simple client to the Ersilia Model Hub for containerized models

A conda-smithy repository for ersilia.

This repository contains maintenance workflows for the Ersilia Model Hub

Demo repository for the Ersilia Model Hub

This repository contains some model comparisons and validations for the Ersilia Model Hub.