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⚗ A package useful for chemistry written in Python
∫ Straightforward numerical integration of systems of ordinary differential equations
Finite difference weights for any derivative order on arbitrarily spaced grids. C89, C++ and Fortran 90 implementations with Python bindings.
Python wrapper around odeint (from the boost C++ library)
Python wrapper around cvodes (from the sundials library)
Python binding for odeiv2 interface from GNU Scientific Library (GSL)