670 skills found · Page 5 of 23
grimme-lab / Std2std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DFT, and SF-Xs-TD-DFT)
dingelish / Dftwinlibdft for win
junzastar / DFTr Voting[ICCV'23] Deep Fusion Transformer Network with Weighted Vector-Wise Keypoints Voting for Robust 6D Object Pose Estimation
abinit / Pseudo DojoPython framework for generating and validating pseudo potentials
dftlibs / NumgridNumerical integration grid for molecules.
pyiron / Pyiron Atomisticspyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
aimukhin / MinfftA small and fast Discrete Fourier Transform library
jurihock / QdftConstant-Q Sliding DFT in C++, Rust and Python
lakshitadodeja / Image WatermarkingA python program to implement different watermarking algorithms, like dwt, dct, dft,svd and dwt-svd
funkymunkycool / Cube ToolzPython tool to manipulate Gaussian cube files
Essenceia / Systolic MAC With DFTGF180 ASIC tapeout of a 2x2 MAC with DFT infrastructure
jkitchin / Dft Book EspressoNew version of dft-book for Quantum Espresso
wavefunction91 / GauXCGauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.
marcobn / PAOFLOWUtility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
gaox-qd / PysocPySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
garrettj403 / CZTChirp Z-Transform
JCSaltFish / VideoDFTRealtime video DFT and IFT
llnl / QballQball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
xigh / SpectrogramTaking an audio signal (wav) and converting it into a spectrogram. Written in Go programming language.
Noeda / Dfterm3Remote Dwarf Fortress playing
