eosce

Name	eosce JSON
Version	0.1.0 JSON
	download
home_page
Summary	Ersilia Compound Embeddings
upload_time	2023-06-01 10:02:24
maintainer
docs_url	None
author	Ersilia
requires_python	>=3.7,<4.0
license
keywords
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
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            # Ersilia Embeddings

A lite wrapper for Ersilia compound embeddings model.

## Quick start guide

### 1. Clone the repository

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

### 2. Install the package with pip

```bash
pip install .
```

or if you have a GPU

```bash
pip install .[gpu]
```

### 3. Programatically generate embeddings

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

### 4. Generate embeddings using the cli

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


            

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