/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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