biology
BioNeMo MolMIM
BioNeMo MolMIMNVIDIA NIM for MolMIM molecule generation, embedding, and property optimization.
Model details
View repositoryExample usage
Call BioNeMo MolMIM on Baseten using the NIM molecule generation route.
Note: You need to procure your own NVAIE licenses to access this NIM.
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 "smi": "CN1C=NC2=C1C(=O)N(C(=O)N2C)C",
13 "algorithm": "CMA-ES",
14 "num_molecules": 5,
15 "property_name": "QED",
16 "minimize": False,
17 "min_similarity": 0.4,
18 "particles": 8,
19 "iterations": 3,
20}
21
22response = requests.post(
23 BASETEN_URL,
24 headers={
25 "Authorization": f"Bearer {BASETEN_API_KEY}",
26 "Content-Type": "application/json",
27 },
28 json=payload,
29 timeout=300,
30)
31response.raise_for_status()
32result = response.json()
33print(result)
34JSON output
1{
2 "generated": [
3 "<SMILES>",
4 "<SMILES>"
5 ]
6}
