Molecular Docking
2 skills with this tag
K-Dense-AI
Passed
Zinc Database
Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.
Drug DiscoveryCheminformaticsMolecular Docking+3
402.5k
K-Dense-AI
Passed
Diffdock
Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.
Molecular DockingDrug DiscoveryProtein Ligand+3
502.5k