RobinEkberg
Master student in organic chemistry at Lund University trying to learn some computational chemistry methods during my spare time.
Lund University
Pinned Repositories
ECD-plot
Plot data from experimental and simulated ECD spectral data.
Molecular-enumeration
Make a reaction based molecular library
PDB-sanitizer
Prepare pdb-files for AutoDock Vina by sanitizing them from unnessecary information
Solubility
Linear regression model to calculate soluability
RobinEkberg's Repositories
RobinEkberg/ECD-plot
Plot data from experimental and simulated ECD spectral data.
RobinEkberg/Molecular-enumeration
Make a reaction based molecular library
RobinEkberg/PDB-sanitizer
Prepare pdb-files for AutoDock Vina by sanitizing them from unnessecary information
RobinEkberg/Solubility
Linear regression model to calculate soluability