Interaction Inventory Of The Modelled Complex

Interaction Inventory Of The Modelled Complex is an AI Engineering skill for Claude Code, published by tangxiangru in AutoR.

804 stars25 forkson tangxiangru/AutoRAdded 2026/08/22Repository updated 2026/08/22

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Install in seconds

Install Interaction Inventory Of The Modelled Complex

Copy Interaction Inventory Of The Modelled Complex into your Claude Code skills folder. Run the command in your terminal, or review the source on GitHub before installing.

terminal

npx degit https://github.com/tangxiangru/AutoR/tree/main/src/skills/chemistry-interaction-inventory-of-the-modelled-complex ~/.claude/skills/chemistry-interaction-inventory-of-the-modelled-complex

Requires Node.js. Downloads this skill only — not the rest of the repository — into your Claude Code skills folder.

Without Node.js

git clone https://github.com/tangxiangru/AutoR.git

Clones the whole repository, then copy the skill’s own directory into your skills folder yourself.

In this catalog

Source file: src/skills/chemistry-interaction-inventory-of-the-modelled-complex/SKILL.md in tangxiangru/AutoR
Installs to: ~/.claude/skills/chemistry-interaction-inventory-of-the-modelled-complex
Collection: One of 25 skills cataloged from this repository
Category: AI Engineering — 2451 skills

What Interaction Inventory Of The Modelled Complex does

Interaction Inventory Of The Modelled Complex compares reference and predicted molecular interfaces by contact class, listing recovered, missed, and spurious interactions. Use it for docked or co-folded complexes when RMSD or DockQ alone does not explain the binding chemistry.

Interaction Inventory Of The Modelled Complex is cataloged under AI Engineering on DirSkills. Interaction Inventory Of The Modelled Complex comes from a repository tagged agent, ai, ai-scientist, auto-research and claude.

Documentation

README

Excerpt

Interaction inventory of the modelled complex

What goes wrong

When the deliverable is a modelled molecular complex — a docked pose, a co-folded assembly, a predicted interface — the report stops at aggregate distances: RMSD, DockQ, lDDT, "fraction under the accepted cut". Those say how far the partner is from where it belongs. None of them says whether the model found the right pocket, reproduced the recognition chemistry, or kept the specific contacts that hold the complex together. A reader who wants to know what the model got right about the chemistry finds nothing to read.

Three symptoms:

This is the opening of the README. Read the full README on GitHub.

Frequently asked about Interaction Inventory Of The Modelled Complex

What else does tangxiangru publish alongside Interaction Inventory Of The Modelled Complex?
Interaction Inventory Of The Modelled Complex is one of 25 skills that DirSkills catalogs from tangxiangru/AutoR, the repository it ships in. Its siblings there include A Deliverable Is Not an Instruction, A Value You Did Not Measure Still Has A Source and Answer The Why, Not Only The What. Each one is a separate skill with its own page in this directory, installs the same way Interaction Inventory Of The Modelled Complex does, and is maintained by tangxiangru in that same repository. The rest of the collection is listed on the tangxiangru/AutoR page.
How does Interaction Inventory Of The Modelled Complex compare to other AI Engineering skills?
Interaction Inventory Of The Modelled Complex ranks #1596 by stars among the 2451 AI Engineering skills in this catalog. The most-starred ones next to it are Architecture Decision Records, AI-First Engineering and Agentic OS. DirSkills ranks by the star count of the repository each skill ships in, so that order reflects how popular those repositories are rather than any review of Interaction Inventory Of The Modelled Complex against them. Open each page to compare what they document and how they install.