Create your own GitHub profile
Sign up for your own profile on GitHub, the best place to host code, manage projects, and build software alongside 28 million developers.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
A distributed compute and database platform for quantum chemistry.
⚡️Optimizing NumPy's einsum function with order optimization and GPU support.
Combining Psi4 and Numpy for education and development.
Fast computation of a gaussian and its derivative on a grid.
The Energy Expression Exchange for Molecular Dynamics.
2,408 contributions in the last year
Moves the QueueManager technology to (optionally) be separate from the FractalServer. The following was complete:
QueueNanny -> QueueM…
in private repositories
Press h to open a hovercard with more details.