Requirements

Python and Python libraries

Core almos_kit dependencies

• Python >= 3.10

• PyYAML

• plotly

• matplotlib

• numpy

• pandas

• pdfplumber

• rdkit

• scikit_learn

• pca

• kneed

Bayesian Optimization (EDBO) dependencies

• botorch

• gpytorch

• idaes-pse

• ipykernel

• ipython

• ipywidgets

• Jinja2

• joypy

• lxml

• mordred

• ordered-set

• pareto

• pymoo

• scipy

• seaborn

• sympy

• torch

• tqdm