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Top 2 collective-variables open source projects
SML CV
Using supervised machine learning to build collective variables for accelerated sampling
✭ 20
Jupyter Notebook
machine-learning
openmm
supervised-learning
enhanced-sampling
plumed
supervised-machine-learning
metadynamics
collective-variables
accelerated-sampling
SSAGES
Software Suite for Advanced General Ensemble Simulations
✭ 72
C++
CMake
python
shell
lammps
gromacs
enhanced-sampling
qbox
collective-variables
hoomd-blue
scientific-machine-learning
miccom
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collective-variables projects