/tools/pipelines
pipelines
InformaticsMatters/pipelines
36 stars19 forksPythonAdded February 4, 2026
summary
This repository contains modular components designed for cheminformatics and computational chemistry, allowing users to create data processing pipelines. It leverages RDKit for various cheminformatics functionalities, making it suitable for tasks related to molecular property prediction and simulations.
description
Containerised components for cheminformatics and computational chemistry
topics
dockerfiledockerpythonsquonkrdkitsquonk-pipelines
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