SSAGES Labs

Software Suite for Advanced General Ensemble Simulations

Pinned Repositories

hoomd-dlext
Wrapper for HOOMD-blue simulation data into DLPack data structures
Language:C++2 2 24
hoomd-dlext-feedstock
A conda-smithy repository for hoomd-dlext.
Language:Shell0 0 00
lammps-dlext
Wrapper for LAMMPS simulation data into DLPack data structures
Language:C++0 1 01
openmm-dlext
Plugin for OpenMM providing simulation data wrappers as DLPack data structures
Language:C++2 2 94
openmm-dlext-feedstock
A conda-smithy repository for openmm-dlext.
Language:Shell0 0 00
PySAGES
Python Suite for Advanced General Ensemble Simulations
Language:Python62 8 6625
PySAGES-examples
Repository that showcases examples of the use of PySAGES coupled to a number of MD engines
Language:Jupyter Notebook2 5 62
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:Python0 0 00

SSAGESLabs/PySAGES
Python Suite for Advanced General Ensemble Simulations
Language:Python62 8 6625
SSAGESLabs/hoomd-dlext
Wrapper for HOOMD-blue simulation data into DLPack data structures
Language:C++2 2 24
SSAGESLabs/openmm-dlext
Plugin for OpenMM providing simulation data wrappers as DLPack data structures
Language:C++2 2 94
SSAGESLabs/PySAGES-examples
Repository that showcases examples of the use of PySAGES coupled to a number of MD engines
Language:Jupyter Notebook2 5 62
SSAGESLabs/hoomd-dlext-feedstock
A conda-smithy repository for hoomd-dlext.
Language:Shell0 0 00
SSAGESLabs/lammps-dlext
Wrapper for LAMMPS simulation data into DLPack data structures
Language:C++0 1 01
SSAGESLabs/openmm-dlext-feedstock
A conda-smithy repository for openmm-dlext.
Language:Shell0 0 00
SSAGESLabs/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Language:Python0 0 00