eosce 0.2.0

Ersilia Compound Embeddings

Ersilia Embeddings

A lite wrapper for Ersilia compound embeddings model.

Quick start guide

1. Clone the repository

git clone https://github.com/ersilia-os/compound-embedding-lite.git
cd compound-embedding-lite

2. Install the package with pip

pip install .

or if you have a GPU

pip install .[gpu]

3. Programatically generate embeddings

from eosce.models import ErsiliaCompoundEmbeddings
model = ErsiliaCompoundEmbeddings()
embeddings = model.transform(["CCOC(=O)C1=CC2=CC(OC)=CC=C2O1"])

4. Generate embeddings using the cli

eosce embed "CCOC(=O)C1=CC2=CC(OC)=CC=C2O1"