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1. POPS-Regression POPS-Regression Public

   Efficient misspecification uncertainties for linear regression

   Jupyter Notebook 7 1

2. tammber tammber Public

   TAMMBER fork of ParSplice - Accelerated, massively parallel construction of Markov/kMC Models from MD

   C++ 8 5

3. pafi pafi Public

   Free energy barriers with LAMMPS

   Python 9 4

4. marseille-matmol/LammpsImplicitDerivative marseille-matmol/LammpsImplicitDerivative Public

   Implicit Derivative Implementation in LAMMPS

   Jupyter Notebook 4

5. PyGT PyGT Public

   Graph transformation for metastable Markov chains

   Python 6 4

6. marseille-matmol/LML-retrain marseille-matmol/LML-retrain Public

   Retraining LML potentials on QM/MM data.

   Jupyter Notebook 3 2