Name: Ersilia Open Source Initiative
Type: Organization
Bio: Ersilia is a charity developing open source tools to facilitate global health drug discovery, with a focus on neglected diseases, for equal healthcare
Twitter: ersiliaio
Location: Spain
Blog: https://ersilia.io
Ersilia Open Source Initiative's Projects
Ersilia Organization Profile
Evaluation of analogues in the 3D Space
AI/ML tools for drug discovery workshop workshop held in Ghana, September 2024
Material for a 2h introductory workshop on AI/ML for drug discovery
Antimicrobial activity prediction with automated machine learning
TabNet implementation with hyperparameter search
Automatic training of (multioutput) regression models for chemistry
Utility scripts to interact with AWS
Lite version of BentoML to be used by Ersilia
This is a slim version of bentoML for the Ersilia Model Hub. It is derived from bentoML v0.11
Download Bioassays from PubChem and convert them to a readable .csv file.
This is an experimental repository to sample the chemical space around a given seed molecule. It uses multiple models from the Ersilia Model Hub
Legacy version of ChemSampler
A repository to generate bioassay datasets from ChEMBL ready for downstream AI/ML modelling
Tools to use data from Chembl database for machine learning
This simple repository performs a fast exploration of a chemical library
Ensemble-based, size-agnostic wrapper for the TabPFN classifier
Privacy preserving machine learning for small molecule data
A fully automated pipeline for fuzzy matching of medical datasets.
Compound embedding obtained with few-shot learning (FS-Mol), Morgan fingerprints, Grover embeddings, and Mordred descriptors
Production-ready Ersilia's compound embedding.
The repository for Hackathon related information!
Standard and extended record linkage functionalities
Demo repository for the Ersilia Model Hub
A light version of Ersilia models
Template repository to add new models to the Ersilia Model Hub
Ersilia Model Hub template for model contribution
This is a dummy example
Test for eos-template
Classification of carcinogenic metabolites