Requirements

Python and Python libraries

Core almos_kit dependencies

• Python >= 3.11

• aqme

• robert

• pandas

• scipy

• hdbscan

• matplotlib

• plotly

• umap-learn

• pca

• kneed

• pdfplumber

Optional system / chemistry dependencies commonly installed through conda-forge

• openbabel

• xtb

• glib

• gtk3

• pango

• mscorefonts

• libgfortran