Pamella Carneiro's repositories
gromacs_with_packmol
A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
gromacs_plumed_hremd
A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to perform replica exchanges
julia_for_molecular_dynamics
My progress in programming in Julia for Molecular Dynamics (a subject in the University)
pamellaccar
Config files for my GitHub profile.
machine_learning_for_chemistry
problems solved in python for chemistry
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