Installation¶

MolPy is a pure Python package. Install it with pip:

pip install molcrafts-molpy

Optional dependencies (extras)¶

MolPy keeps the core lightweight. Install extras when you need integrations or documentation tooling:

Group	Command	When to use
All	pip install molcrafts-molpy[all]	Everything below
Dev	pip install molcrafts-molpy[dev]	Tests, coverage, tooling
Docs	pip install molcrafts-molpy[doc]	Build documentation locally

Verify installation¶

Run a tiny import check to confirm the package is available and see where it is installed.

In [1]:

import molpy as mp

print("MolPy:", mp.version)
print("Released on:", mp.release_date)

import molpy as mp print("MolPy:", mp.version) print("Released on:", mp.release_date)

MolPy: 0.2.3
Released on: 2025-12-23

Next steps¶

• Continue with the Quickstart to build, type, and export your first system.
• Read Core Concepts to understand why MolPy’s data model is split into graph (Atomistic) vs arrays (Frame).
• Jump into Tutorials for larger, realistic workflows.