We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.
Python 8 2
An efficient Python-based framework for implementing qubit subspace methods, reducing the resource requirements for near-term quantum simulations.
Python 37 9
GPU version of HemeLB code (HemePure)
Self-coupled version of HemeLB
Reads and analyses HemeLB .xtr output files
HemeLB version with improved memory, compilation and scaling
Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
Python 3 framework to facilitate verification, validation and uncertainty quantification (VVUQ) for a wide variety of simulations.
Loading…
