9 projects
kinpy2
Reaction kinetics intergration from user-friendly input
smtconfig
Declarative SMT-based configuration system built on top of Z3
pyxyz24
PyXYZ – A Python Library for Conformer Ensemble Manipulation
ringo-ik
Ringo – The Python Library for Kinematics-Driven Conformer Generation
vf3py
Interfacing Python and NetworkX with VF3 – the fastest algorithm for graph/subgraph isomorphism calculation
ifeval
Evaluate all if-statement predicates in a Python file
PySquared
Pipeline automation framework for Python