chemdiagrams

A Python package for creating publication-quality reaction energy diagrams with Matplotlib.

Installation

You can use the latest release by installing it from PyPi:

pip install chemdiagrams

Requirements: Python ≥ 3.10, Matplotlib ≥ 3.7, NumPy ≥ 1.23, SciPy ≥ 1.10

Features

• Multiple reaction paths on a single diagram
• Nine connector styles: dotted, solid, broken dotted, broken solid, spline dotted, spline solid, broken spline dotted, broken spline solid or none
• Five diagram styles: open, halfboxed, boxed, twosided, borderless
• Automatic, stacked, naïve, and averaged energy label placement (numbering)
• Custom text labels for each path at each position
• Energy difference bars with optional whiskers
• Axis break markers for both x and y axes
• Image placement along the diagram, with automatic collision avoidance
• Full access to the underlying Matplotlib objects for fine-grained customisation