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Introduction

Our model enables fast, multi-property optimization compared to many off-the-shelf options.

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API Features

Mult-Property Optimization

Current version allows for up to 5 properties to be optimized at a time

Ultra-fast design

Achieve >10s molecule generation with our base model

Realistic Molecules

Molecule designs are returned with the checks and rationales

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Molecule Design

Generate molecule designs with a simple request.

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Authentication

In order to use our API you need to get your ascent-api-key first. This will be available in your profile settings.

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Endpoint

https://ascentbio--ab-design-apiv4-01-inference-dev.modal.run/design

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Request Body

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smiles

The SMILES representation of the molecule to be designed.

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changes

The properties to optimize for (one or more of ['qed', 'TPSA', 'MolLogP', 'ExactMolWt']).

note: changes is a dictionary with the keys being the properties to optimize for and the values being ['increase', 'decrease'].

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model

The specific model to use for molecule design. This allows you to select different models based on your requirements. We currently support ascentbio-v1-base-large

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Example Request

import requests

url = "https://ascentbio--ab-design-apiv4-01-inference.modal.run/design"

headers = {
  "Content-Type": "application/json",
  "ascent-api-key": "YOUR_API_KEY"
}

data = {
    "smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
    "changes": {"qed": "increase"},
    "model": "ascentbio-v1-base-large"  # Specify the model to use
}

response = requests.post(url, json=data, headers=headers)

print(response.status_code)
print(response.json())
Introduction