AlphaFold 3 inference pipeline.
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Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
A Julia wrapper for the Smile C++ Structural Modeling, Inference, and Learning Engine for Bayesian & Influence Networks