FAIRifying the TEMPL Pipeline: Applying FAIR Principles to a Template-Based Protein–Ligand Pose Prediction Baseline

This presentation shows how the FAIR principles were applied to TEMPL, a template-based protein–ligand pose prediction baseline. It covers persistent identifiers (Zenodo DOIs for software, data, benchmarks), open licensing (MIT for code; CC BY 4.0 for slides/data), standard formats and tooling (PDB/SDF/SMILES, RDKit), reproducibility (pinned dependencies, containers, CI), and long-term archiving (Software Heritage).

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-10-20
DOI
https://doi.org/10.5281/zenodo.17397907
Primary Topic
Cell Image Analysis Techniques
Type
article
Field-Weighted Citation Impact
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article

FAIRifying the TEMPL Pipeline: Applying FAIR Principles to a Template-Based Protein–Ligand Pose Prediction Baseline

Zenodo (CERN European Organization for Nuclear Research)
Cell Image Analysis Techniques
article

FAIRifying the TEMPL Pipeline: Applying FAIR Principles to a Template-Based Protein–Ligand Pose Prediction Baseline

article en

Abstract

This presentation shows how the FAIR principles were applied to TEMPL, a template-based protein–ligand pose prediction baseline. It covers persistent identifiers (Zenodo DOIs for software, data, benchmarks), open licensing (MIT for code; CC BY 4.0 for slides/data), standard formats and tooling (PDB/SDF/SMILES, RDKit), reproducibility (pinned dependencies, containers, CI), and long-term archiving (Software Heritage).

Zenodo (CERN European Organization for Nuclear Research)
University of Chemistry and Technology, Prague (CZ)
Sustainable cities and communities
Openalex Percentile: Top 29%
Cell Image Analysis Techniques
DOIOpen Access PDFOpenAlex
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FAIRifying the TEMPL Pipeline: Applying FAIR Principles to a Template-Based Protein–Ligand Pose Prediction Baseline · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS