BioNeMo GenMol

NVIDIA NIM for GenMol molecule generation and scaffold decoration.

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Model details

Developed by
NVIDIA
Model family
BioNeMo
Use case
biology
Variant
NIM
Hardware
A10G
License
NVIDIA AI Foundation Models Community License Agreement

View repository

Example usage

Call BioNeMo GenMol on Baseten using the NIM generation route.

Note: You need to procure your own NVAIE licenses to access this NIM. The NIM requires an ngc_api_key secret in your Baseten workspace — add your NVIDIA NGC API key (the nvapi-… value) as a secret named ngc_api_key before deploying.

Input

1import os
2import requests
3
4MODEL_ID = os.environ["BASETEN_MODEL_ID"]
5BASETEN_API_KEY = os.environ["BASETEN_API_KEY"]
6BASETEN_URL = (
7    f"https://model-{MODEL_ID}.api.baseten.co/environments/production/sync"
8    "/generate"
9)
10
11payload = {
12    "smiles": "[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O.[*{15-15}]",
13    "num_molecules": 5,
14    "temperature": 1.0,
15    "noise": 1.0,
16    "scoring": "QED",
17}
18
19response = requests.post(
20    BASETEN_URL,
21    headers={
22        "Authorization": f"Bearer {BASETEN_API_KEY}",
23        "Content-Type": "application/json",
24    },
25    json=payload,
26    timeout=300,
27)
28response.raise_for_status()
29result = response.json()
30print(result)
31

JSON output

1{
2    "status": "success",
3    "molecules": [
4        {
5            "smiles": "OC[C@@H]1O[CH][C@@H](O)[C@H]1O",
6            "score": 0.397
7        }
8    ]
9}