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Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
List of ray tracing software. Ray tracing is a technique that can generate near photo-realistic computer images. A wide range of free software and commercial software is available for producing these images. This article lists notable ray-tracing software. Software.
RECFAST — Software was developed by Seager, Sasselov, and Scott and used to calculate the recombination history of the universe. The package is used by cosmological boltzmann codes (CMBFast, CAMB etc.) TOAST — Time Ordered Astrophysics Scalable Tools, developed and designed by Theodore Kisner, Reijo Keskitalo, Jullian Borrill et al.
List of free analog and digital electronic circuit simulators, available for Windows, macOS, Linux, and comparing against UC Berkeley SPICE. The following table is split into two groups based on whether it has a graphical visual interface or not. The later requires a separate program to provide that feature, such as Qucs-S, [1] Oregano, [2] or ...
Automated software package to annotate eukaryotic genes from RNA-Seq data and associated protein sequences. Eukaryotes. [1] FragGeneScan. Predicting genes in complete genomes and sequencing Reads. Prokaryotes, Metagenomes. [2] ATGpr. Identifies translational initiation sites in cDNA sequences.
The software is powered by recurrent neural networks and guided by a large collection of manually-annotated chromatographic peaks. ProtMax. Freeware. ProtMAX [41] is a software tool for analyzing shotgun proteomics mass spectrometry data sets, developed by Volker Egelhofer at the University of Vienna.
Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker-OpenMM. Software tools for molecular design-Tinker-HP. Proprietary, gratis Washington University: UCSF Chimera: Yes Yes Yes No No No No No No
This is a list of free and open-source software for geological data handling and interpretation. The list is split into broad categories, depending on the intended use of the software and its scope of functionality. Notice that 'free and open-source' requires that the source code is available and users are given a free software license.
This free software had an earlier incarnation, Macsyma. Developed by Massachusetts Institute of Technology in the 1960s, it was maintained by William Schelter from 1982 to 2001. In 1998, Schelter obtained permission to release Maxima as open-source software under the GNU General Public license and the source code was released later that year ...
DOORS3.2A, 1-,2-,3-dimensional discrete-ordinates system for deep-penetration neutron and photon transport. uscd1234. DRAGON 3.05D, Reactor Cell Calculation System with Burnup. nesc0784. DSNP, Program and Data Library System for Dynamic Simulation of Nuclear Power Plant. nea-1683.