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As with Cygwin, MSYS2 supports path translation for non-MSYS2 software launched from it. For example one can use the command notepad++ /c/Users/John/file.txt to launch an editor that will open the file with the Windows path C:\Users\John\file.txt. [9] [8] MSYS2 and its bash environment is used by Git and GNU Octave for their official Windows ...
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...
MinGW ("Minimalist GNU for Windows"), formerly mingw32, is a free and open source software development environment to create Microsoft Windows applications.. MinGW includes a port of the GNU Compiler Collection (GCC), GNU Binutils for Windows (assembler, linker, archive manager), a set of freely distributable Windows specific header files and static import libraries which enable the use of the ...
Swiss Mass Abacus is a calculator of peptide and glycopeptide masses. It is purposefully kept as simple as a basic calculator executing arithmetic operations. TOF-DS Proprietary: Software by Markes International used with BenchTOF time-of-flight mass spectrometers. TopFD Open source
It can be effectively used for the modeling, optimization, and design of a wide range of industrially and environmentally important chemistry-loaded processes. Chemical WorkBench is a modeling environment based on advanced scientific approaches, complementary databases, and accurate solution methods.
System Mechanic is an easy solution for optimal PC performance and simple computing. Once downloaded, it helps speed up slow computers by removing unnecessary software and files and fixes problems ...
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]