pancreatic-lipase-pro-docking
Docks small molecules against human pancreatic lipase (PDB 1LPB, lipase+colipase+Ca2+) across 5 validated sites with AutoDock Vina — pH 7.4 protonation, tautomer/stereoisomer enumeration, multi-seed consensus, native re-dock RMSD gate, and calibration drift detection. Runs locally or on free Kaggle
as observed 2026-09-08T10:18:19.295Z- Identifier
pancreatic-lipase-pro-docking- Source
- ClawHub
- Version observed
- 101.0.7
- Source repository
- not published
- Repository observation
- No source repository listed
- First observed here
- 2026-08-28T22:06:34.671Z
- Observations recorded
- 3
- Installs (reported upstream)
- 2
- Weekly downloads (upstream)
- 1,462
Observation history
2026-09-08T10:18:19.295Z
Fields that differed: changelog latestVersion topics
| Field | Before | After |
|---|---|---|
changelog |
"Category reorganization" | "- Removed the file: skill-card.md\n- No other changes to functionality or documentation." |
latestVersion |
"101.0.6" | "101.0.7" |
topics |
["drug-discovery","kaggle","molecular-docking","pancreatic-lipase","virtual-screening"] | ["chemical-informatics-drug-discovery","kaggle","molecular-docking","pancreatic-lipase","virtual-screening"] |
2026-09-07T09:39:20.468Z
Fields that differed: changelog description latestVersion summary topics
| Field | Before | After |
|---|---|---|
changelog |
"Payload packaging fix: zip entries now prefixed with docking_professional_stack/ so restore_and_run.sh extracts correctly (v100.4.0 payload failed its own fail-closed check; no co | "Category reorganization" |
description |
"One-command maximum-precision virtual screening against human pancreatic lipase (PDB 1LPB, lipase+colipase+Ca2+ complex) — pH 7.4 ligand protonation, tautomer + stereoisomer enume | "Docks small molecules against human pancreatic lipase (PDB 1LPB, lipase+colipase+Ca2+) across 5 validated sites with AutoDock Vina — pH 7.4 protonation, tautomer/stereoisomer enum |
latestVersion |
"100.4.1" | "101.0.6" |
summary |
"One-command maximum-precision virtual screening against human pancreatic lipase (PDB 1LPB, lipase+colipase+Ca2+ complex) — pH 7.4 ligand protonation, tautomer + stereoisomer enume | "Docks small molecules against human pancreatic lipase (PDB 1LPB, lipase+colipase+Ca2+) across 5 validated sites with AutoDock Vina — pH 7.4 protonation, tautomer/stereoisomer enum |
topics |
["autodock-vina","drug-discovery","molecular-docking","pancreatic-lipase","virtual-screening"] | ["drug-discovery","kaggle","molecular-docking","pancreatic-lipase","virtual-screening"] |
Correction
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