Skip to content
#

bedroc

Star

Here are 2 public repositories matching this topic...

Language: All
Filter by language
All 2 OCaml 1 Python 1

Qasim-Hussain-Code / vina_litpcba_virtual_screening_pipeline

Star 0

A measured benchmark of structure-based virtual screening on 15 LIT-PCBA targets, reporting enrichment against random, physicochemical and fingerprint baselines, with the same targets rerun under DUD-E to separate method performance from benchmark artifact.

python bash benchmark cheminformatics computational-chemistry rdkit reproducibility scoring-functions virtual-screening bedroc enrichment-factor molecular-docking smina autodock-vina protein-ligand gnina structure-based-drug-design lit-pcba dud-e decoy-bias
  • Updated Sep 29, 2026
  • Python

Add this topic to your repo

To associate your repository with the bedroc topic, visit your repo's landing page and select "manage topics."

Learn more