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.
标签： discriminative substructures fragments molecular
上传时间： 2014-01-20
上传用户：龙飞艇
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。
标签： molecular Dynamics Monte Carlo
上传时间： 2015-09-04
上传用户：Divine
molecular Dynamics and its Applications from Biochemistry and Biophysics
标签： Applications Biochemistry Biophysics molecular
上传时间： 2013-12-20
上传用户：bruce5996
TimeIntegrationMethods usin molecular Dynamics
标签： TimeIntegrationMethods molecular Dynamics usin
上传时间： 2013-12-11
上传用户：笨小孩
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 F90 compiler may be needed.)
标签： implements continuous simulation The
上传时间： 2016-04-03
上传用户：zhaiye
a molecular graph kernel based on iterative graph similarity and optimal assignments
标签： graph assignments similarity molecular
上传时间： 2017-02-20
上传用户：阿四AIR
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。
标签： calculator molecular Formula FTICRMS
上传时间： 2014-01-05
上传用户：569342831
PyPLIF is a program/script written in Python to analyze protein-ligandinteraction from the molecular docking result.
标签： python
上传时间： 2015-02-12
上传用户：Tesla985
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 settings and in laboratories around the world, but also in government and venture capitalists’ initiatives. There now is a major drive to commercialize the technology by all sorts of firms, ranging from start- ups to Fortune 100 companies.
标签： Nanotechnology Applications
上传时间： 2020-05-31
上传用户：shancjb
