ALPineFOREst

Active Learning Pipeline For Optimal Ranking Estimation

ALPineFOREst is a flexible, modular framework for conducting large-scale active learning campaigns in scientific and materials research. It supports molecular dynamics (MD)-based evaluations, customizable models (e.g., Gaussian Processes), and popular Bayesian optimization strategies like Thompson Sampling — all within a high-throughput, reproducible pipeline.

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Installation

Install via PyPI:

pip install alpfore

Or to install from source:

git clone https://github.com/nherringer/ALPineFOREst.git
cd ALPineFOREst
pip install -e .