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plumed
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5 search results found
Plumed2
⭐
308
Development version of plumed 2
Sml_cv
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14
Using supervised machine learning to build collective variables for accelerated sampling
Schrodinger_utils
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12
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Clips
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9
Fast estimation of ion-pairing for screening electrolytes
Tf_metadynamics
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8
Using neural networks for enhanced sampling in computational biophysics
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