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nickvandewiele / packages

Package Name Access Summary Updated
rmg public A program for automatically generating kinetic models of chemical reaction mechanisms. 2025-03-25
openbabel None A chemical toolbox designed to speak the many languages of chemical data. 2025-03-25
rdkit None Open-Source Cheminformatics 2025-03-25
quantities None Support for physical quantities with units, based on numpy 2025-03-25
guppy None Guppy-PE -- A Python Programming Environment 2025-03-25
boost None No Summary 2025-03-25
gprof2dot None Generate a dot graph from the output of several profilers. 2025-03-25
cantera public No Summary 2025-03-25
cairocffi public cffi-based cairo bindings for Python 2025-03-25
symmetry public A program for calculating symmetry numbers of molecules 2025-03-25
eigen public No Summary 2025-03-25
rmgdatabase public Database for RMG: a program for automatically generating kinetic models of chemical reaction mechanisms. 2025-03-25
pydqed public A Python wrapper to the DQED bounded constrained nonlinear optimization code. 2025-03-25
pydas public A Python wrapper to several differential algebraic system solvers, namely DASSL and DASPK. 2025-03-25
scoop public Scalable COncurrent Operations in Python 2025-03-25

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