BioNeMo Boltz2

NVIDIA NIM for Boltz-2 structure prediction and binding-affinity prediction.

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Model details

Developed by
NVIDIA
Model family
BioNeMo
Use case
biology
Variant
NIM
Hardware
H100
License
NVIDIA AI Foundation Models Community License Agreement

View repository

Example usage

Call BioNeMo Boltz2 on Baseten using the NIM route for structure prediction.

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    "/biology/mit/boltz2/predict"
9)
10
11sequence = "GIVEQCCTSICSLYQLENYCN"
12
13payload = {
14    "polymers": [
15        {
16            "id": "A",
17            "molecule_type": "protein",
18            "sequence": sequence,
19        }
20    ],
21    "recycling_steps": 3,
22    "sampling_steps": 50,
23    "diffusion_samples": 1,
24    "step_scale": 1.638,
25    "output_format": "mmcif",
26}
27
28response = requests.post(
29    BASETEN_URL,
30    headers={
31        "Authorization": f"Bearer {BASETEN_API_KEY}",
32        "Content-Type": "application/json",
33    },
34    json=payload,
35    timeout=300,
36)
37response.raise_for_status()
38result = response.json()
39print(result)
40

JSON output

1{
2    "structures": [
3        {
4            "structure": "<mmcif text>",
5            "format": "mmcif"
6        }
7    ],
8    "confidence_scores": [
9        0.87
10    ],
11    "metrics": {}
12}