The Graph Of LIfe Library.

---

A deep learning library focused on graph representation learning for real-world chemical tasks.

• ✅ State-of-the-art GNN architectures.
• 🐍 Extensible API: build your own GNN model and train it with ease.
• ⚗️ Rich featurization: powerful and flexible built-in molecular featurization.
• 🧠 Pretrained models: for fast and easy inference or transfer learning.
• ⮔ Read-to-use training loop based on Pytorch Lightning.
• 🔌 Have a new dataset? Goli provides a simple plug-and-play interface. Change the path, the name of the columns to predict, the atomic featurization, and you’re ready to play!

Try Online

Visit and try Goli online.

Documentation

Visit https://valence-discovery.github.io/goli/.

Installation

Use either mamba or conda:

# Install DGL from https://github.com/dmlc/dgl/#installation
mamba install -c dglteam dgl

# Install Goli
mamba install -c conda-forge goli

or pip:

pip install goli-life

Changelogs

See the latest changelogs at CHANGELOG.rst.

License

Under the Apache-2.0 license. See LICENSE.

Authors

See AUTHORS.rst.