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xby-pubchem

Web Tools Updated 2026.09.02

Run the following command in DeepSeek Harness:

dsh plugin install xby-skill/xby-pubchem

Paste the following prompt into your AI chat to install this plugin:

Run dsh plugin install xby-skill/xby-pubchem in your terminal to install; the source repository is available at https://github.com/xby-skill/xby-pubchem .

About this plugin

Retrieving basic compound data such as molecular formula, molecular weight, and CAS number is a small but frequent task in medicinal chemistry and materials research. The xby-pubchem plugin connects the PubChem API directly to your DeepSeek Harness conversation, so you can pull the data you need with a single message instead of switching browsers and typing search queries.

Two lookup paths are available: query by chemical name for a full information sheet, or search by CAS number for an exact match. The API key is set once via set_xby_apikey and persists across restarts, removing any per-session configuration overhead.

It is well suited for researchers and students in medicinal chemistry, pharmacology, or materials science who need to confirm a compound’s basic parameters quickly while reading literature or logging experiments.

Use Cases

  • Confirming a compound's molecular formula and weight while reading a paper
  • Looking up a CAS number and basic parameters for a lab notebook entry
  • Retrieving exact compound data by CAS number to organize into notes

Best For

  • Researchers and graduate students in medicinal chemistry or pharmacology
  • Undergraduate and master's students in chemistry or materials science
  • Laboratory staff who frequently need to look up basic compound parameters