chemprop/chemprop
A Python library of message passing neural networks for predicting molecular properties in chemistry and drug discovery research.
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Chemprop provides graph neural network models for molecular property prediction, specifically message passing neural networks that operate on molecular graph structures. It includes training pipelines, CLI tooling, and pretrained models for property prediction tasks common in cheminformatics and drug discovery.
Frequently asked
- What is chemprop/chemprop?
- A Python library of message passing neural networks for predicting molecular properties in chemistry and drug discovery research.
- Is chemprop open source?
- Yes — chemprop/chemprop is an open-source project tracked on heatdrop.
- What language is chemprop written in?
- chemprop/chemprop is primarily written in Python.
- How popular is chemprop?
- chemprop/chemprop has 2.4k stars on GitHub.
- Where can I find chemprop?
- chemprop/chemprop is on GitHub at https://github.com/chemprop/chemprop.