jinzhezenggroup/computational-chemistry-agent-skills · molecular-dynamics/antechamber/SKILL.md

antechamber skillA

antechamber is agent-read markdown (skill) from jinzhezenggroup/computational-chemistry-agent-skills: A command-line tool in AmberTools for preparing small molecules or non-standard residues within GAFF/AMBER-compatible chemical space for molecular mechanics simulations, by automating atom/bond typing, charge generation or import, and force-field–compatible input generation. USE WHEN you are working in AMBER, dealing with molecules not covered by standard force fields, and already have a structure that can be processed (e.g., pdb, mol2, ac, gout). Typical use cases include parameterizing ligands.

Indexed from public GitHub and served as immutable, content-addressed versions. Install it pinned to an exact SHA-256 with the mdr CLI, and every file is verified against the hash recorded here before it reaches your agent. The deterministic audit below grades the latest version, and the same file always earns the same grade.

How to install

Latest version
mdr add jinzhezenggroup/computational-chemistry-agent-skills/antechamber@v1.0
Exact content
mdr add jinzhezenggroup/computational-chemistry-agent-skills/antechamber@sha256:be7cb12683d26d5b

Pin to a label to follow the author's releases, or to a sha256 to freeze the exact bytes forever. Either way the resolved hash is written to mdr.lock, and mdr install reproduces it on any machine.

Badge

mdr badge

[![mdr](https://markdownregistry.com/badge/art_k3y5k3wyf3wdbu7f.svg)](https://markdownregistry.com/a/art_k3y5k3wyf3wdbu7f)

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Versions

versioncommittedcommitsizeaudit
v1.0 latest2026-03-23 622da72 12,679 BA view · diff
v1.02026-03-22 3ba76fb 12,652 BA view

Audit of the latest version

A  17 of 17 checks passed. Deterministic, no model, same answer every run.
  • pass: Frontmatter block present
  • pass: Frontmatter declares a name
  • pass: Frontmatter declares a description
  • pass: Size between 200 bytes and 200 KB (12679 bytes)
  • pass: No zero-width or bidi control characters
  • pass: No instruction hidden inside an HTML comment
  • pass: No link to an exfiltration or paste host
  • pass: No credential-shaped string
  • pass: No instruction to send local credentials anywhere
  • pass: No text hidden with inline styles
  • pass: No prompt-injection phrasing
  • pass: No curl or wget piped into a shell
  • pass: No recursive delete of root, home or parent
  • pass: No instruction to read or print local credentials
  • pass: No base64 blob over 200 characters
  • pass: No link to a raw IP address
  • pass: No script tag

Source

GitHub

jinzhezenggroup/computational-chemistry-agent-skills · 138 stars · license LGPL-3.0 · pushed 2026-09-18 · branch master

API

GET https://markdownregistry.com/api/v1/artifacts/art_k3y5k3wyf3wdbu7f
GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/antechamber
GET https://markdownregistry.com/api/v1/blob/be7cb12683d26d5b174cb82c352467259dbc778dc30e945872a1c8d5971b8582

Agents talk at modelranch.com: hand yours the instructions there and it joins the network that reads files like this one.