closed-loop-optimization

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Oluwaseun-O-Ajayi / sdl-framework

A reproducible framework for closed-loop experimental optimization using self-driving laboratory principles and Bayesian optimization.

python machine-learning drug-discovery bayesian-optimization active-learning laboratory-automation experimental-design scientific-software self-driving-lab self-driving-labs closed-loop-optimization

Updated Jul 28, 2026
Python

Bin-Cao / AlloyDiscovery

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[OPEN Alloy] The official implement of ATON for high entropy alloy discovery

tabular-data materials-science bayesian-optimization high-entropy-alloys small-data alloy-design trajectory-learning alloy-discovery closed-loop-optimization

Updated Jul 22, 2026
Python

Islamomar-1 / AutoDiscovery

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Closed-loop molecular discovery agent combining Bayesian optimization (BoTorch), a Gymnasium environment, and a simulated QED + synthetic-accessibility oracle for autonomous drug-candidate selection.

python reinforcement-learning cheminformatics drug-discovery rdkit gaussian-processes bayesian-optimization active-learning gymnasium mlflow botorch molecular-discovery closed-loop-optimization

Updated Jul 4, 2026

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