Guides

The notebooks are arranged by task so that release discovery, structure work, and similarity analysis can be learned independently.

Data access

Start here when working directly with the release tables and files.

• Query the release tables

Structures

Reconstruct ligand systems and linked apo chains, then work with atom arrays, masks, sequences, and ligand atom mappings.

• Access system files with PlinderSystem
• Work with protein interfaces
• Atom arrays and ligand mappings

Similarity and search

Inspect similarity scores and representative covers, or compare custom structures and protein sequences with PLINDER.

• Similarity scores and representative covers
• Search PLINDER with your structures and sequences

Evaluation

Compare predicted ligand poses and protein interfaces with known references.

• Evaluate ligand poses and protein interfaces

Offline access

Download a local copy when you need to work without internet access.

• Download the full dataset