pdf-dft-extractor
OfficialExtract DFT coordinates from PDFs to gjf inputs.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This skill addresses the manual bottleneck of converting molecular coordinates embedded in PDF documents into ready-to-run Gaussian input files (gjf). It specifically targets supplementary materials and other PDFs that contain computed coordinates, enabling batch extraction and organized output folders per PDF.
Core Features & Use Cases
- Automatically convert PDFs to structured data via MinerU to access coordinates
- Extract Cartesian coordinates for one or more molecules from each document
- Generate Gaussian input files with sane defaults and per-molecule naming
- Batch-process entire directories, producing isolated output folders for each PDF
Quick Start
Run the extractor on a single PDF to generate gjf files and a summary in the output folder.
Dependency Matrix
Required Modules
mineru-pdf-converterpdf_to_markdown
Components
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: pdf-dft-extractor Download link: https://github.com/InternScience/ChemClaw/archive/main.zip#pdf-dft-extractor Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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