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QRD_PythonTutorial
QRD_PythonTutorial PublicA Python Tutorial to implement a quantum reaction dynamic simulation.
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deeptime
deeptime PublicForked from deeptime-ml/deeptime
Girsanov path reweighting for Markov state models in deeptime
Python
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openmmtools
openmmtools PublicForked from choderalab/openmmtools
Girsanov path reweighting factors from openMM simulations
Python
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openmm
openmm PublicForked from openmm/openmm
OpenMM with reporter for Girsanov path reweighting.
C++
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reweightingtools
reweightingtools Publicpython library to simulate via openmmtools extension with Girsanov path reweighting and to analyse with a reweighted MSM of deeptime
Python
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