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reaction-balancer

A precise chemical-equation balancer that uses exact rational arithmetic and CIAAW atomic weights to generate printable recipe sheets (Excel format) from Markdown input.

Features

1. Exact scientific computation

• Uses CIAAW (2024) standard atomic weights.
• All internal math uses sympy.Rational (exact fractions), eliminating round-off errors.
• Linear algebra–based solver ensures correct balancing or gives an informative error if impossible.

2. Flexible input syntax

• Supports parentheses and fractional subscripts:
  • Ni(NO3)2(H2O)6
  • Fe7/8Se
  • La1.8Sr0.2CuO4.12
• Optional basis specification (e.g., ) allows partial balancing, which is useful for sol–gel and oxide-precursor routes.

3. Automatic Excel output

• Produces a ready-to-print xlsx recipe sheet with formatted layout.
• Column widths, styles, and alignment handled automatically—no manual editing required.

4. Reproducible and traceable

• Input is a Markdown document, allowing you to record:
  • sample IDs
  • furnace schedule
  • experimental notes
• Perfect for lab notebooks and long-term traceability.

5. Designed for materials synthesis

Suitable for:

• solid-state reactions
• flux growth
• hydrothermal / sol-gel precursor balancing
• cuprates, pnictides, nickelates, chalcogenides, and general inorganic synthesis

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Installation

pip install balancer

or if using uv:

uv tool install balancer

Usage

Run the following command in any directory:

python -m balancer
# or use uv:
# uv run balancer

This program needs an input file (default: ./input.md).

If input.md is not found, a template will be automatically created in the current working directory.

Example input:

Corresponding output:

You may also specify an explicit filepath:

balancer <filepath>