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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.
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
Python. PyCharm – Cross-platform Python IDE with code inspections available for analyzing code on-the-fly in the editor and bulk analysis of the whole project. PyDev – Eclipse-based Python IDE with code analysis available on-the-fly in the editor or at save time. Pylint – Static code analyzer.
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.
May 20, 2024 at 6:20 PM. By Max A. Cherney. SEATTLE (Reuters) -Microsoft on Monday debuted a new category of personal computers with AI features as it rushes to build the emerging technology into ...
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 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.
Accelerator physics is a field of physics encompassing all the aspects required to design and operate the equipment and to understand the resulting dynamics of the charged particles. There are software packages associated with each domain. The 1990 edition of the Los Alamos Accelerator Code Group's compendium [1] provides summaries of more than ...