dpgen-simplify
OfficialStreamline DP-GEN simplify workflows end-to-end.
Authorjinzhezenggroup
Version1.0.0
Installs0
System Documentation
What problem does it solve?
DP-GEN simplify workflows can be prepared, explained, validated, and executed within an agent to streamline the dataset simplification process for DeepMD-compatible data, reducing manual setup and repetition.
Core Features & Use Cases
- Generate and patch param.json and machine.json for DP-GEN simplify workflows.
- Explain important simplify parameters in plain language and validate the workflow before execution.
- Organize repeated experiments and provide clear run summaries across multiple variations.
Quick Start
Provide baseline param.json and machine.json and run the outer dpgen simplify command in an activated environment.
Dependency Matrix
Required Modules
None requiredComponents
referencesassets
💻 Claude Code Installation
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Please help me install this Skill: Name: dpgen-simplify Download link: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/archive/main.zip#dpgen-simplify Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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