jinzhezenggroup/computational-chemistry-agent-skills · machine-learning-potentials/deepmd-finetune-dpa3/SKILL.md

deepmd-finetune-dpa3 skillA

deepmd-finetune-dpa3 is agent-read markdown (skill) from jinzhezenggroup/computational-chemistry-agent-skills: Fine-tune a DPA3 model in DeePMD-kit using the PyTorch backend. Use when the user wants to adapt a pre-trained DPA3 model to a new downstream dataset. Supports fine-tuning from a self-trained DPA3 model (.pt checkpoint), from a multi-task pre-trained model, or from a built-in pretrained model downloaded via `dp pretrained download` (e.g., DPA-3.1-3M, DPA-3.2-5M, DPA-3.3-1M). Covers single-task and multi-task fine-tuning workflows..

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/deepmd-finetune-dpa3@v1.0
Exact content
mdr add jinzhezenggroup/computational-chemistry-agent-skills/deepmd-finetune-dpa3@sha256:10dcff16bf4f3f57

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_nkxekauh424gmaei.svg)](https://markdownregistry.com/a/art_nkxekauh424gmaei)

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Versions

versioncommittedcommitsizeaudit
v1.0 latest2026-06-03 0392dc3 12,537 BA view · diff
v1.02026-03-23 622da72 12,447 BA view · diff
v1.02026-03-21 0a9651d 12,438 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 (12537 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_nkxekauh424gmaei
GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/deepmd-finetune-dpa3
GET https://markdownregistry.com/api/v1/blob/10dcff16bf4f3f5791578c44e0b110c5f456c92a6d79a11c3bec0aee20b185a6

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