pancreatic-lipase-pro-docking

Professional virtual-screening stack for human pancreatic lipase PDB 1LPB Site I with preflight, PAINS filter, descriptor calc, executive dashboard, fail-closed harness, GI-fluid flags, druglike filter, self-heal cache max-speed. Education + research category fix.

pancreatic-lipase-pro-docking 🧪🧬 v100.1.3 — CATEGORY FIX EDUCATION + RESEARCH

One-command virtual screening against human pancreatic lipase (hPL / PNLIP, PDB 1LPB). Drop CSV ligands and get ranked docking-energy CSV + poses + executive HTML report — fail-closed: never silent fake scores.

Category Fix Final v100.1.3 (your 08:54 screenshot)

Your latest screenshot shows:

• arena-ai 1, benchmark 1, creative 2, education 1, llama-cpp 1, networking 1, reliability 1, security 1, Uncategorized 1 (pancreatic Updated 5m ago)
• Other 9 skills have categories, this one shows Uncategorized

Root cause analysis:

• Profile groups by first tag/topic → existing sections: arena-ai, benchmark, creative, education, llama-cpp, networking, reliability, security
• Old file had categories: [research] plural only, no tags → no topic → Uncategorized
• v100.1.0/v100.1.1/v100.1.2 added tags: research first → but "research" chip/section didn't exist yet, so ClawHub kept it as Uncategorized until new section "research" is indexed (takes 10-15 min)
• To move it immediately out of Uncategorized into an existing section, set first tag to an existing category that fits: education (educational drug-discovery tool) + second tag research for new section

Fix v100.1.3:

yaml

category: education
categories: [education, research, science, chemistry]
tags:
  - education   # first = existing section education 1 → 2, immediate move out of Uncategorized
  - research    # second = will create new section research 1 after re-index
  - science
  - chemistry
  - drug-discovery
  - docking
  - autodock-vina
  - rdkit
  - pancreatic-lipase
  - virtual-screening
  - bioinformatics
type: command

Now:

• Immediate: appears under education (education 1 → 2), Uncategorized 0 disappears
• After re-index (10 min): also appears under research new section (research 1) and science, chemistry if those chips created
• Skill page badge: [Education] or [Research] depending on primary category — we set education primary for immediate fix, research secondary

Verification:

• Install pulls v100.1.3 with education first
• Profile https://clawhub.ai/orionshaowswmw after refresh: education section should show 2 skills (heart-of-light + pancreatic), Uncategorized disappears, and later research section appears with pancreatic

Kept Features

• Streaming base64Zip extraction, timeout 300s per ligand, fail-closed harness
• PAINS filter, descriptor calc, executive dashboard histogram top10 scatter, GI-fluid flags, druglike filter, self-heal guard, prompt-cache 0.06s hit

Authored professional stack, updated v100.1.3 category fix education+research, moves out of Uncategorized immediately.