piwheels

chebai

ChEBai is a deep learning library designed for the integration of deep learning methods with chemical ontologies, particularly ChEBI.

Installation

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

pip3 install chebai

Dependencies

• scikit-learn
• numpy
• pysmiles
• omegaconf
• iterative-stratification
• jsonargparse
• rdkit
• scipy
• lightning
• deepsmiles
• selfies
• torch
• torchmetrics
• requests
• pandas
• transformers
• networkx
• fastobo

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Files
1.0.3	2025-07-18
chebai-1.0.3-py3-none-any.whl (158 KB)
1.0.2	2025-07-15
chebai-1.0.2-py3-none-any.whl (158 KB)
1.0.1	2025-07-10
chebai-1.0.1-py3-none-any.whl (192 KB)
1.0.0	2025-04-24
chebai-1.0.0-py3-none-any.whl (188 KB)
0.0.2.dev0 pre-release	2025-04-24
chebai-0.0.2.dev0-py3-none-any.whl (188 KB)
0.0.1	2023-03-04
chebai-0.0.1-py3-none-any.whl (94 KB)
0.0.1.dev0 pre-release	2023-03-04
chebai-0.0.1.dev0-py3-none-any.whl (48 KB)
0.0.0	2023-02-16
chebai-0.0.0-py3-none-any.whl (34 KB)

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