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• OPLS-AA patch for different types of molecules
• Reaction-diffusion systems in 2D space with python
• Constructing discrete Laplacian via sparse matrix
• All-atom automatic OPLS-AA topology generator
• Scanning PES ab initio and in MM
• Quantum chemistry information page
• Python script for processing FRAP image set
• Using Firefly/GAMESS-US efficiently
• Building and plotting Fukui function with FireFly and PyMol
• Visualize partial charges in PyMol

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