Use AllMetal3D

Features

• Predicts metal-binding and water-binding sites directly from an input protein structure using 3D CNNs.
• Provides per-site probabilities for different metal ions and water occupancy.
• Uses a joint model of localization, identity, and coordination geometry to improve metal-site precision.
• Considers local 3D atomic environments rather than only sequence motifs, enabling detection of noncanonical sites.
• Can be applied to experimentally determined and predicted structures (such as AlphaFold models).
• Outputs machine-readable result files for downstream analysis and integration into custom workflows.

Statistics

Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.