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A program to find frequent molecular substructures and discriminative fragments in a database of molecule descriptions. The algorithm is based on the Eclat algorithm for frequent item set mining.

1． 对薄膜形成与生长中相关物理过程及现象进行分析和建模。 2． 利用蒙特卡罗（Monte Carlo）方法和分子动力学（Molecular Dynamics）方法对薄膜形成与生长过程进行计算机模拟。 3． 对多孔硅形成的模拟。

Molecular Dynamics and its Applications from Biochemistry and Biophysics

TimeIntegrationMethods usin Molecular Dynamics

The program md.f implements a simple molecular dynamics simulation in continuous real space. The velocity Verlet algorithm is used to implement the time stepping. The force and energy computations are performed in parallel, as is the time integration. (The program uses some Fortran90 features, so an ...

a molecular graph kernel based on iterative graph similarity and optimal assignments

Molecular Formula calculator 分子式计算器。用于FTICRMS傅立叶变换高分辨质谱仪分子峰分子式的计算。

PyPLIF is a program/script written in Python to analyze protein-ligandinteraction from the molecular docking result.

This is believed to be the first book that takes a view of nanotechnology from a telecommunications and networking perspective. Nanotechnology refers to the manip- ulation of materials at the atomic or molecular level. Nanotechnology is getting a lot of attention of late not only in academic setting ...