PaddlePaddle/PaddleHelix

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1119 stars · 228 forks observed · 2026-08-28

What it is AI-extracted, prompt v1, taxonomy v1, 2026-08-30, confidence not recorded

PaddleHelix is a bio-computing platform built on PaddlePaddle featuring large-scale representation learning and multi-task deep learning for biomolecular tasks. It includes models like HelixFold3 for protein and biomolecular structure prediction, HelixDock for protein-ligand docking, and tools for RNA structure prediction, drug-target interaction, and molecule design.

Use cases

• predict protein 3d structure from sequence
• predict protein-ligand docking poses
• predict rna secondary structure
• drug-target interaction prediction
• design new molecules with deep learning
• molecular property prediction with graph neural networks
• protein-protein interaction prediction

When to choose

• you need open-source AlphaFold3-like biomolecular structure prediction
• you work on drug discovery tasks like DTI, DDI, or molecular docking
• you want pre-trained molecular or protein representation models on PaddlePaddle

When to avoid

• you need a PyTorch or TensorFlow ecosystem instead of PaddlePaddle
• you only need general-purpose machine learning without bio-computing focus
• commercial use of HelixFold3 is required, since its license is restricted to non-commercial academic research

Facets

library · maturity active

machine-learning deep-learning data-science bioinformatics machine-learning deep-learning healthcare python windows bio-computing protein-folding rna-structure-prediction drug-discovery molecular-docking graph-neural-networks self-supervised-learning alphafold paddlepaddle linux macos

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markdown · JSON · MCP: product_card(name="PaddlePaddle/PaddleHelix")