Metadata-Version: 2.1
Name: tengu-py
Version: 0.1.0
Summary: Python SDK for interacting with the QDX Tengu API
Author: Ryan Swart
Author-email: ryan@talosystems.com
Requires-Python: >=3.10,<4.0
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Requires-Dist: dataclasses-json (>=0.5.7,<0.6.0)
Requires-Dist: datargs (>=0.11.0,<0.12.0)
Requires-Dist: gql[requests] (>=3.4.0,<4.0.0)
Requires-Dist: rdkit-pypi (>=2022.9.5,<2023.0.0)
Description-Content-Type: text/markdown

# Tengu-py: Python SDK for the QDX Tengu API

This package exposes a simple provider and CLI for the different tools exposed by the QDX Tengu GraphQL API.

## Usage

### As a library

``` python
import json
from pathlib import Path

import tengu

TOKEN = "your qdx access token"

# get our client to talk with the API
client = tengu.Provider(access_token=TOKEN)

# get modules that can be run
client.modules()

## running convert

# path to protein pdb with correct charges and protonation
protein_pdb = Path("./examples/4w9f_prepared_protein.pdb")

# get base64 encoded data

file_arg = provider.upload_arg(protein_pdb)

client.run("github:talo/tengu-prelude/f8e2e55d9bd428aa7f2bbe3f87c24775fa592b10#convert", [ 
{ "value": "PDB" }, file_arg
])
```

