6 projects
qc-selector
Subset selection with maximum diversity.
qc-cuGBasis
High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
qc-grid
Grid performs numerical integration, interpolation and differentiation.
qc-permanent
Extension module for computing permanents of square and rectangular matrices.
qc-PyCI
PyCI: A flexible quantum chemistry CI library for Python 3.
qc-AtomDB
AtomDB is a database of atomic and ionic properties.
