Ersilia Open Source Initiative

ersilia

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

chempfn

Ensemble-based, size-agnostic wrapper for the TabPFN classifier

pharmacogx-embeddings

Pharmacogenomics knowledge graph embeddings and related analyses

eos9ei3

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

model-inference-pipeline

Ersilia's batch inference pipeline on the AWS cloud

ai-intro-workshop

Material for a 2h introductory workshop on AI/ML for drug discovery

eos526j

A tool for planning retrosynthesis of a target molecule based on template reactions and a stock of precursors

eos6ao8

Explainable AI for plasma protein binding prediction

eos9be7

Frechet Chemnet Distance

few-shot-bioassays

This repository contains a model for few-shot learning based on ChEMBL data

osm-series4-candidates-2

A new round of series 4 candidates, including new low-data generative models and improved predictors

eos7a45

aws-utils

Utility scripts to interact with AWS

eos39dp

eos46ev

eos4e40

Predictor of antibiotic activity for small molecules

eos4zfy

maip-malaria

eos57bx

eos69e6

eos6tg8

eos7kpb

eos8aox

eos9f6t

Predicts the inhibitory activity of small molecules on SARS-Cov1 3CLprotease

eos9ivc

ersilia-client

Simple client to the Ersilia Model Hub for containerized models

ersilia-maintenance

This repository contains maintenance workflows for the Ersilia Model Hub

ersilia-self-service

osm-series4-manuscript

This repository contains executable notebooks and links related to the OSM Series 4 work by Ersilia

pharmacogx-app

Simple app to browse pharmacogenomics predictions relevant to Africa

xai4chem