ShuklaGroup

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1. AdaptivePy AdaptivePy Public

   Python package for adaptive sampling of molecular dynamics trajectories

   Python 2

2. esmdynamic esmdynamic Public

   ESMDynamic repo

   Python 35 3

3. multiobjective_controlled_extrapolation multiobjective_controlled_extrapolation Public

   Python 2

4. LassoESM LassoESM Public

   Forked from xuenanmi/LassoESM

   Python 3 2

5. EASE EASE Public

   Code for ensemble ranking-based adaptive sampling.

   Python 4

6. MaxEntVAMPNet MaxEntVAMPNet Public

   Repository for Maximum Entropy VAMPNet Adaptive Sampling

   Python 8