{
  "doi": "10.5281/zenodo.16875932",
  "title": "TEMPL Pipeline Benchmark Results Dataset",
  "version": "1.0.0",
  "publication_date": "2025-08-14",
  "resource_type": {
    "type": "dataset"
  },
  "language": "eng",
  "creators": [
    {
      "name": "Fülöp, Jozef",
      "affiliation": "University of Chemistry and Technology Prague",
      "orcid": "0000-0003-2599-7997"
    },
    {
      "name": "Šícho, Martin",
      "affiliation": "University of Chemistry and Technology Prague"
    },
    {
      "name": "Dehaen, Wim",
      "affiliation": "University of Chemistry and Technology Prague"
    }
  ],
  "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.",
  "keywords": [
    "protein-ligand interactions",
    "pose prediction",
    "template-based prediction",
    "structure-based drug design",
    "PDBBind",
    "Polaris",
    "benchmark results",
    "ablation study",
    "cheminformatics",
    "computational biology"
  ],
  "license": {
    "id": "MIT"
  },
  "related_identifiers": [
    {
      "scheme": "url",
      "identifier": "https://github.com/fulopjoz/templ-pipeline",
      "relation": "isSupplementTo",
      "resource_type": "software"
    },
    {
      "scheme": "doi",
      "identifier": "10.5281/zenodo.15813500",
      "relation": "isSupplementTo",
      "resource_type": "dataset"
    }
  ],
  "subjects": [
    {
      "term": "Computational Biology"
    },
    {
      "term": "Cheminformatics"
    },
    {
      "term": "Drug Discovery"
    }
  ],
  "contributors": [
    {
      "name": "Ministry of Education, Youth and Sports of the Czech Republic",
      "type": "Funder"
    }
  ],
  "access_right": "open",
  "upload_type": "dataset"
}