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Search Protein Docking , found 2 results

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DiffDock Molecular Docking

K-Dense-AI/claude-scientific-skills

DiffDock uses diffusion-based deep learning to predict protein-ligand binding poses and confidence scores from PDB files, sequences, or SMILES/SDF inputs, enabling single-target docking or large-scale virtual screening campaigns for structure-based drug design.

Rowan Quantum Chemistry

K-Dense-AI/claude-scientific-skills

Rowan delivers cloud-based quantum chemistry via a Python API for pKa estimation, geometry optimization, conformer search, docking, and AI protein cofolding, giving scientists remote compute and automation for molecular workflows without local setup.

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