Projects
Polymer ligation in PBC
C++
MPI
Implementation of a method to avoid finite size issue due to the cyclisation of a polymer through the periodic boundaries
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Loop Extrusion and Briding in LAMMPS
C++
MPI
Implementation of a LAMMPS Fix to model Loop Extrusion and Bridging driven by SMC Molecules
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MLKnots
Python
Numpy
Tensorflow
Feature engineering and prediction of Knotted IDs in MD Simulations
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