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.
標簽： discriminative substructures fragments molecular
上傳時間： 2014-01-20
上傳用戶：龍飛艇
1． 對薄膜形成與生長中相關物理過程及現(xiàn)象進行分析和建模。 2． 利用蒙特卡羅（Monte Carlo）方法和分子動力學（molecular Dynamics）方法對薄膜形成與生長過程進行計算機模擬。 3． 對多孔硅形成的模擬。
標簽： molecular Dynamics Monte Carlo
上傳時間： 2015-09-04
上傳用戶：Divine
molecular Dynamics and its Applications from Biochemistry and Biophysics
標簽： Applications Biochemistry Biophysics molecular
上傳時間： 2013-12-20
上傳用戶：bruce5996
TimeIntegrationMethods usin molecular Dynamics
標簽： TimeIntegrationMethods molecular Dynamics usin
上傳時間： 2013-12-11
上傳用戶：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.)
標簽： implements continuous simulation The
上傳時間： 2016-04-03
上傳用戶：zhaiye
a molecular graph kernel based on iterative graph similarity and optimal assignments
標簽： graph assignments similarity molecular
上傳時間： 2017-02-20
上傳用戶：阿四AIR
molecular Formula calculator 分子式計算器。用于FTICRMS傅立葉變換高分辨質譜儀分子峰分子式的計算。
標簽： calculator molecular Formula FTICRMS
上傳時間： 2014-01-05
上傳用戶：569342831
PyPLIF is a program/script written in Python to analyze protein-ligandinteraction from the molecular docking result.
標簽： python
上傳時間： 2015-02-12
上傳用戶：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.
標簽： Nanotechnology Applications
上傳時間： 2020-05-31
上傳用戶：shancjb
