PyPI page
Author:
Benjamin J. Shields
Summary:
A Python package for building and optimizing cheminformatics workflows using Bayesian optimization and LLM agents
Latest version:
0.4.0
Required dependencies:
dimorphite-dl
|
fastmcp
|
optuna
|
pandas
|
pyarrow
|
rdkit
|
scikit-learn
|
threadpoolctl
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