Protein-Ligand Affinity Prediction

Benchmarks archive 2025-07-28

2 leaderboard tables shown for this task, 2 with rows (a “benchmark” on this site is a table with at least one row, as on /sota), ordered by row count. “Best model” is the first row in the archive's own order at snapshot; nothing is re-ranked here and metric direction is not recorded in the archive. PwC's Trend sparklines are not in the archive, so that column is omitted.

Syntology column: samples harvested from the paper's repositories and executed on synthesized fixtures; “ran” is not a correctness claim and does not order the table. A dash means no Syntology record for that paper, not a recorded non-run. Read from the graph 2026-09-24.

Libraries

Not in the archive: the export carries no per-task library table, so there is nothing to show at snapshot 2025-07-28.

Datasets archive 2025-07-28

No dataset record in the archive lists this task.

Subtasks archive 2025-07-28

1 subtask in the archive's task tree.

Most implemented papers archive 2025-07-28

4 shown of 4 papers with code (8 tagged with this task in all), ordered by repositories listed in the archive, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers without a page here are shown as plain text.

• BAPULM: Binding Affinity Prediction using Language Models
  6 Nov 2024 1 repository listed
  Identifying drug-target interactions is essential for developing effective therapeutics.
• PLAPT: Protein-Ligand Binding Affinity Prediction Using Pretrained Transformers
  8 Feb 2024 1 repository listed
  Understanding protein-ligand binding affinity is crucial for drug discovery, enabling the identification of promising drug candidates efficiently.
• Efficient and Accurate Physics-aware Multiplex Graph Neural Networks for 3D Small Molecules and Macromolecule Complexes
  6 Jun 2022 1 repository listed
  On small molecule dataset for predicting quantum chemical properties, PaxNet reduces the prediction error by 15% and uses 73% less memory than the best baseline.
• Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity
  21 Jul 2021 1 repository listed
  To this end, we propose a structure-aware interactive graph neural network (SIGN) which consists of two components: polar-inspired graph attention layers (PGAL) and pairwise interactive pooling (PiPool).