adam-srut

adam-srut's Stars

• Niuskir/Electron-Orbitals-Blender-3D

  Atom Electron Orbitals (probability clouds) generated in Blender 3D

  Language:Python365

• ParmEd/ParmEd

  Parameter/topology editor and molecular simulator

  Language:Python395149

• Alexander-Barth/NCDatasets.jl

  Load and create NetCDF files in Julia

  Language:Julia14732

• blender/blender

  Official mirror of Blender

  Language:C++13.2k2k

• virtualzx-nad/geodesic-interpolate

  Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations

  Language:Python4113

• MDAnalysis/mdanalysis

  MDAnalysis is a Python library to analyze molecular dynamics simulations.

  Language:Python1.3k651

• chemfiles/Chemfiles.jl

  Julia bindings to chemfiles

  Language:Julia3722

• libwfa/libwfa

  Wave-function analysis tool library

  Language:C265

• sharc-md/sharc

  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

  Language:Python6738

• m3g/packmol

  Packmol - Initial configurations for molecular dynamics simulations

  Language:Fortran22650

• louislagardere/winter-school-2023

  4

• felixplasser/theodore-qc

  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis

  Language:Python298

• JuliaLang/julia

  The Julia Programming Language

  Language:Julia45.7k5.5k

• Ritam19/Spectra-Simulation

  a small program to simulate spectra

  Language:Python3

• tudace/tuda_latex_templates

  LaTeX Templates for TU Darmstadt

  Language:TeX21271

• JuliaMolSim/Molly.jl

  Molecular simulation in Julia

  Language:Julia39654

• JuliaEditorSupport/julia-vim

  Vim support for Julia.

  Language:Vim Script75594