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Search results for python metadynamics
metadynamics
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python
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4 search results found
Tensormol
⭐
190
Tensorflow + Molecules = TensorMol
Autoforce
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23
Sparse Gaussian Process Potentials
Ufedmm
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20
Unified Free Energy Dynamics (UFED) simulations with OpenMM
Metadynminer.py
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8
Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package for R.
Cvpack
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6
Useful Collective Variables for OpenMM
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