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OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
The world's cleanest AutoML library ✨ - Do hyperparameter tuning with the right pipeline abstractions to write clean deep learning production pipelines. Let your pipeline steps have hyperparameter spaces. Design steps in your pipeline like components. Compatible with Scikit-Learn, TensorFlow, and most other libraries, frameworks and MLOps environments.
QKeras: a quantization deep learning library for Tensorflow Keras
A Euclidean diffusion model for structure-based drug design.
NitroFE is a Python feature engineering engine which provides a variety of modules designed to internally save past dependent values for providing continuous calculation.
A lightweight Python package for teaching computational methods through art history. Extract and analyze artist-specific works from WikiArt with built-in visualizations. Designed for digital humanities and computational design courses. Features genre/style analysis, matplotlib integration, and pedagogical clarity over algorithmic complexity.