Design
An API for fast molecule design
Introduction
Our model enables fast, multi-property optimization compared to many off-the-shelf options.
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
Molecule Design
Generate molecule designs with a simple request.
Authentication
In order to use our API you need to get your ascent-api-key
first. This will be available in your profile settings.
Endpoint
https://ascentbio--ab-design-apiv4-01-inference-dev.modal.run/design
Request Body
smiles
The SMILES representation of the molecule to be designed.
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']
.
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