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List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...
CONN includes a user-friendly GUI to manage all aspects of functional connectivity analyses, [1] including preprocessing of functional and anatomical volumes, [2] elimination of subject-movement and physiological noise, [3] outlier scrubbing, [4] estimation of multiple connectivity and network measures, and population-level hypothesis testing.
Software Author, creator Operating system First public release Latest stable version Cost in USD License External link cuteNMR Linux, macOS, Windows: November 9, 2010 (14 years ago) () 0.1 alpha1 (November 9, 2010; 14 years ago ()) Free GPLv2: GSim Linux, Windows August 22, 2006 (18 years ago) () 21.3
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. 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 ...
In computational chemistry, natural resonance theory (NRT) is an iterative, variational functional embedded into the natural bond orbital (NBO) program, commonly run in Gaussian, GAMESS, ORCA, Ampac and other software packages.
Visualize and edit biomolecules, extract bound ligands from PDB files for further computational analysis, full molecular mechanics and quantum chemical calculations package with streamlined graphical user interface. UCSF Chimera: XRD SMI EM MD: Free open-source [25] for noncommercial use [26] Python [27] [28] [self-published source?]
For antenna analysis, antenna placement, windscreen antennas, microstrip circuits, waveguide structures, radomes, EMI, cable coupling, FSS, metamaterials, periodic structures, RFID Elmer FEM: open source Yes Yes Yes Yes Yes manual, or can import other mesh formats FEM
This software is not to be confused with the Reactor Analysis Tool [25] (RAT) which is a toolkit based on ROOT [26] and GEANT4 [27] for microphysical simulations of scintillation detectors used in neutrino and dark matter experiments including Braidwood, SNO+, and DEAP-3600.