Topic: electron-density Goto Github
Some thing interesting about electron-density
Some thing interesting about electron-density
electron-density,A repository containing tutorials for electronic structure analysis
User: asterlingchem
electron-density,Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
User: ccr-cheng
electron-density,EQUIB - Fortran Program for Equilibrium Atomic Populations and Line Emissivities
Organization: equib
electron-density,Interferometry Toolbox
User: georgygospodinov
electron-density,Tool that converts VASP density file (CHGCAR/LOCPOT) to a binary file
User: ifilot
electron-density,Generate isosurface from density data
User: ifilot
Home Page: https://den2obj.imc-tue.nl/
electron-density,C++ based DFT program for educational purposes
User: ifilot
electron-density,Electron Density Plotter
User: ifilot
Home Page: https://edp.imc-tue.nl/
electron-density,Hartree-Fock C++ code
User: ifilot
electron-density,Lightweight (restricted) Hartree-Fock program for calculating wavefunction values
User: ifilot
electron-density,A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.
User: jfurness1
electron-density,Code to support the paper: A. Fabrizio, A. Grisafi, B. Meyer, M. Ceriotti, and C. Corminboeuf, “Electron density learning of non-covalent systems”, Chem. Sci. 10, 9492 (2019)
Organization: lcmd-epfl
Home Page: https://doi.org/10.1039/C9SC02696G
electron-density,A proof-of-concept workflow for torch-based electron density learning
Organization: m-stack-org
electron-density,Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python
User: peterspackman
electron-density,A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory
Organization: real-space
electron-density,A comprehensive software for computing photon and charged particle interaction parameters
User: sriharijayaram5
electron-density,Calculate electron density from a solution scattering profile
User: tdgrant1
electron-density,High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
Organization: theochem
Home Page: https://cugbasis.qcdevs.org/
electron-density,Macromolecular viewer for crystallographers (WebGL)
Organization: uglymol
Home Page: https://uglymol.github.io
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