Published October 23, 2024
| Version v1
Journal article
Open
Bayesian Optimization over multiple experimental fidelities accelerates automated discovery of drug molecules
Creators
-
1.
Massachusetts Institute of Technology
Description
This repository contains all of the data and code associated with the publication "Bayesian Optimization over multiple experimental fidelities accelerates automated discovery of drug molecules"
Data includes model training data, MF-BO model predictions, automated platform control, automatically generated HPLC data, and chem
Files
Acetylcholinesterase.zip
Files
(1.4 GB)
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