piwheels

atomworks

A research-oriented data toolkit for training biomolecular deep-learning foundation models

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install atomworks

Dependencies

• numpy
• typer
• pymol-remote
• scipy
• cytoolz
• py3dmol
• hydride
• zstandard
• pandas
• biotite
• tqdm
• rdkit
• pyarrow
• cython

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
2.2.1	2026-06-08
2.2.0	2025-12-19
atomworks-2.2.0-py3-none-any.whl (8 KB)
2.1.2	2025-12-19
atomworks-2.1.2-py3-none-any.whl (8 KB)
2.1.1	2025-12-01
2.1.0	2025-12-01
atomworks-2.1.0-py3-none-any.whl (504 KB)
2.0.1	2025-12-01
atomworks-2.0.1-py3-none-any.whl (504 KB)
2.0.0	2025-11-29
atomworks-2.0.0-py3-none-any.whl (8 KB)
1.1.0	2025-11-29
atomworks-1.1.0-py3-none-any.whl (8 KB)
1.0.3	2025-09-18
1.0.2	2025-09-18
atomworks-1.0.2-py3-none-any.whl (10 KB)
1.0.1	2025-09-18
atomworks-1.0.1-py3-none-any.whl (10 KB)
1.0.0	2025-08-15

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