Последние записи

• Теория молекулярно-динамических расчетов (видео)
• Малый практикум по квантовой химии
• Compiling CP2K
• 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

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