pyxyz24

Last released Dec 8, 2025

PyXYZ – A Python Library for Conformer Ensemble Manipulation

ringo-ik

Last released Dec 8, 2025

Ringo –⁠ The Python Library for Kinematics-Driven Conformer Generation

vf3py

Last released Jun 22, 2025

Interfacing Python and NetworkX with VF3 – the fastest algorithm for graph/subgraph isomorphism calculation

ifeval

Last released May 26, 2025

Evaluate all if-statement predicates in a Python file

PySquared

Last released Jan 29, 2024

Pipeline automation framework for Python

myconfscript

Last released Jul 12, 2022

rcri

Last released Jul 11, 2022