NPLinker Results PoDP Dataset (NPLinker eScience workshop 2025)

This dataset contains pre-processed NPLinker (v2.0.0-alpha.8) results for two Paired omics Data Platform (PoDP) entries, facilitating the efficient exploration of genomic-metabolomic connections in natural product discovery workflows.

Two pickle (PKL) files are provided:

npl_podp.pkl: Generated from PoDP entry ID 4b29ddc3-26d0-40d7-80c5-44fb6631dbf9.4

npl_b78b5817.pkl: Generated from PoDP entry ID b78b5817-86e2-4e5e-a087-a6b0d9710fce.6

Usage example:

import pickle

# Load the saved data
with open('output/npl_xxx.pkl', 'rb') as f:
data = pickle.load(f)

# Unpack the tuple components
bgcs, gcfs, spectra, mfs, strains, links = data

# Verify the loaded data components
print(f"BGCs: {type(bgcs)}, Count: {len(bgcs)}")
print(f"GCFs: {type(gcfs)}, Count: {len(gcfs)}")
print(f"Spectra: {type(spectra)}, Count: {len(spectra)}")
print(f"Molecular Families: {type(mfs)}, Count: {len(mfs)}")
print(f"Strains: {type(strains)}, Count: {len(strains)}")
print(f"Links: {type(links)}, Count: {len(links) if links else 0}")

Note: This dataset was prepared for the eScience Workshop 2025.