SSAGESLabs / PySAGES Star 89 Code Issues Pull requests Discussions Python Suite for Advanced General Ensemble Simulations python openmm hacktoberfest enhanced-sampling ase gpu-support jax collective-variables hoomd-blue scientific-machine-learning miccom pysages Updated Jun 2, 2025 Python
SSAGESproject / SSAGES Star 88 Code Issues Pull requests Discussions Software Suite for Advanced General Ensemble Simulations lammps gromacs enhanced-sampling qbox collective-variables hoomd-blue scientific-machine-learning miccom Updated Feb 24, 2023 C++
SSAGESLabs / openmm-dlext Star 4 Code Issues Pull requests Plugin for OpenMM providing simulation data wrappers as DLPack data structures openmm enhanced-sampling openmm-plugin miccom pysages Updated Oct 9, 2024 C++
SSAGESLabs / lammps-dlext Star 2 Code Issues Pull requests Wrapper for LAMMPS simulation data into DLPack data structures lammps enhanced-sampling lammps-python-interface miccom pysages Updated Aug 14, 2024 C++
SSAGESLabs / hoomd-dlext Star 2 Code Issues Pull requests Wrapper for HOOMD-blue simulation data into DLPack data structures enhanced-sampling hoomd-blue miccom pysages hoomd-blue-plugin Updated Nov 28, 2024 C++