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SMILES Helper

SMILES Helper

Kimura

|
2 installs
| (0) | Free
Autocomplete and validation for SMILES chemical notation - 500K compounds
Installation
Launch VS Code Quick Open (Ctrl+P), paste the following command, and press enter.
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More Info

SMILES Helper

Autocomplete for SMILES chemical notation — directly in your editor.

Just start typing a SMILES string and suggestions appear automatically. No quotes needed, no special triggers.

Features

Instant Autocomplete

Type any SMILES-like character (C, c, N, O, [, etc.) and get suggestions immediately.

c1ccc → benzene, toluene, phenol, aniline...
CC(=O) → acetone, acetic acid, acetaldehyde...
NC → amino acids, amines...

Compound Lookup

Press Cmd+Shift+M (Mac) or Ctrl+Shift+M (Windows) to search by name:

  • Type "aspirin" → get CC(=O)Oc1ccccc1C(=O)O
  • Type "caffeine" → get Cn1cnc2c1c(=O)n(c(=O)n2C)C

Validation

Select any SMILES and press Cmd+Shift+S to validate it.

Usage

  1. Install the extension
  2. Start typing — autocomplete appears automatically
  3. Select a suggestion with arrow keys + Enter, or click

Works in ANY file type: Python, text, markdown, notebooks, etc.

Keyboard Shortcuts

Shortcut Action
Just type Autocomplete appears
Cmd+Shift+M Open compound picker
Cmd+Shift+S Validate selection

Included Compounds

  • 400K+ common compounds built-in
  • Drugs: aspirin, ibuprofen, caffeine, etc.
  • Solvents: ethanol, DMSO, THF, DCM, etc.
  • Building blocks: benzene, pyridine, indole, etc.
  • All 20 amino acids
  • Common heterocycles

Why?

Typing SMILES by hand is error-prone. One wrong character = invalid molecule. This extension ensures every SMILES you use is valid by selecting from a database of real compounds.

License

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