Natural language computational chemistry command line interface.

Related tags

Text Data & NLPnlcc
Overview

nlcc

PyPI versiontests

Demo

Install

pip install nlcc

Must have Open-AI Codex key: export OPENAI_API_KEY=<your key here> then nlcc

key bindings

  • ctrl-w copy to clipboard (Note, you may need to install xsel on linux)
  • ctrl-q help
  • ctrl-o reset context
  • ctrl-z execute python code
  • ctrl-t adjust temperature
  • ctrl-u status
  • ctrl-c quit
  • ctrl-x write to file (same output as copy to clipboard)
  • ctrl-l load from file
  • ctrl-n update number of code responses
  • ctrl-down Enter multiline. escape-enter to enter prompt or ctrl-down to leave
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Comments
  • Generate HTML Reports

    Generate HTML Reports

    • Use papermill to fill in notebook
    • Use nb convert to make into HTML
    • In papermill input, need URL with pre-populated question "hash" following instructions
    • Host on github nlcc-data (maybe on push?)
    opened by whitead 1
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Andrew White
Andrew White
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