Ersilia Open Source Initiative

ersilia

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

eos2v11

ADMETlab 2 for systematic evaluation of ADMET properties

outreachy-contributions

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

chembl-binary-tasks

A repository to generate bioassay datasets from ChEMBL ready for downstream AI/ML modelling

eos-template

Template repository to add new models to the Ersilia Model Hub

ersilia-stats

Collection of statistics from the Ersilia open source software tools

model-inference-pipeline

Ersilia's batch inference pipeline on the AWS cloud

mtb-targeted-protein-degradation

Targeted protein degradation in Mycobacterium Tuberculosis

eos1579

Classification of carcinogenic metabolites

eos8a4x

RDKIT physicochemical descriptors of small molecules

ersilia-pack

Module to pack Ersilia models with FastAPI

chembl-antimicrobial-tasks

Get antimicrobial tasks from ChEMBL framed as binary classifications

eos238c

mesh-therapeutic-use

eos4e40

Predictor of antibiotic activity for small molecules

eos5axz

Morgan count fingerprints with radius 3

aws-utils

Utility scripts to interact with AWS

eos1ut3

eos3b5e

Molecular weight calculation

eos45zo

eos4q1a

eos4zfy

maip-malaria

eos5xng

eos694w

eos8a5g

molbloom

eos8fma

eos935d

eos9ivc

eos9ym3

ersilia-maintenance

This repository contains maintenance workflows for the Ersilia Model Hub

ersilia-model-workflows

Repository containing all the workflows to update and maintain Ersilia Models