chingchinglam71

Pinned Repositories

CSearch_alignmol
Processing macromodel output file with alignmol function from RDkit
Language:Jupyter Notebook00
Script_im
Scripts for computational investigations of large and flexible chemical systems based on the conformation labelling system, ONIOM calculations in Python 3
Language:Jupyter Notebook00
CONFPASS
Conformer Prioritizations & Analysis for DFT reoptimisations
Language:Python51
TwoBondChem
Language:Jupyter Notebook20
Script_im
Scripts for computational investigations of large and flexible chemical systems based on the conformation labelling system, ONIOM calculations in Python 3
Language:Jupyter Notebook13
CSearch_alignmol
Processing macromodel output file with alignmol function from RDkit
Language:Jupyter Notebook01

chingchinglam71's Repositories

chingchinglam71/CSearch_alignmol
Processing macromodel output file with alignmol function from RDkit
chingchinglam71/Script_im
Scripts for computational investigations of large and flexible chemical systems based on the conformation labelling system, ONIOM calculations in Python 3