Published August 14, 2025 | Version 1.0.0
Dataset Open

TEMPL Pipeline Benchmark Results Dataset

Authors/Creators

  • 1. ROR icon University of Chemistry and Technology

Description

Benchmark results for the TEMPL (Template-based Protein Ligand) pose prediction pipeline. Contains PDBBind timesplit validation results (train/test/validation splits) and Polaris benchmarks and ablation studies with generated poses, performance metrics, and analysis summaries.

Files

README.md

Files (3.5 GB)

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Additional details

Related works

Is documented by
Journal article: 10.1021/acs.jcim.5c01985 (DOI)
Is supplemented by
Software: https://github.com/fulopjoz/templ-pipeline (URL)
Dataset: 10.5281/zenodo.15813500 (DOI)

Software

Repository URL
https://github.com/fulopjoz/templ-pipeline
Programming language
Python
Development Status
Active

References

  • A Template-Based Protein–Ligand Pose Prediction Baseline. Journal of Chemical Information and Modeling, 2025. DOI: 10.1021/acs.jcim.5c01985.