Dulitha Prasanna Kulathunga

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Questions related from Dulitha Prasanna Kulathunga

How we can calculate Free energy from Molecular Dynamic simulations respect to one or more reaction coordinates?

I need to calculate the free energy from my MD simulations which respect contact frequency and RMSD as my reaction coordinates. I have used the pyWham library, and I want to know more flexible...

03 February 2023 8,349 0 View

Are there any open Raman spectrum Datasets or Databases ??

I need Raman spectrums for develop data analytics pipelines to classifying chemical substance using Machine Learning techniques.

24 May 2021 3,602 3 View