Gülşah Gül

3 Questions 3 Answers 0 Followers

Questions related from Gülşah Gül

Can't the Python sklearn decision tree classifier correctly handle categorical attributes?

Hello, I'm trying to model my dataset with decision trees in Python. I have 15 categorical and 8 numerical attributes. Since I can't introduce the strings to the classifier, I applied one-hot...

25 July 2020 5,908 3 View

How can I apply position restraint to a bilayer during Umbrella sampling for PMF calculations?

Hi all, I have a couple of questions for PMF calculations in Gromacs. I placed a nanoparticle (NP) in the water region approximately 1nm away from the membrane and by using Gromacs pull code, I...

22 April 2020 3,960 4 View

How do I calculate bilayer thickness with Gromacs distance command?

Hello all, I carried out a molecular dynamics simulation for a coarse grained membrane system. I want to select the PO4 groups in top and bottom leaflets and calculate the vertical distance. How...

17 June 2019 9,481 4 View