Ecosyste.ms: Packages

vasp 27 python 22 chemistry 10 materials-science 10 computational-chemistry 10 high-throughput 10 ab-initio 9 aiida 9 pymatgen 8 workflow 7 fft 7 electronic-structure 7 density-functional-theory 7 physics 7 computational-materials-science 6 siesta 5 workflows 5 automated 5 defects 5 signal-processing 5 gaussian 5 automation 4 hpc 4 pyiron 4 molecular-dynamics 4 lammps 4 band 4 compchem 4 quantum-chemistry 4 DFT 4 materials-informatics 4 materials 4 dos 4 band-structure 4 forschungszentrum-juelich 3 judft 3 library 3 science 3 condensed-matter-physics 3 all-electron 3 quantum 3 audio 3 machine-learning 3 fourier-transform 3 c 3 dsp 3 ase 3 tight-binding 3 digital-signal-processing 3 stft 3 sliding-dft 2 toolkit 2 cpp 2 utility 2 qdft 2 materials science 2 transport 2 material science 2 espresso 2 molecular 2 magnetism 2 synthesis 2 analysis 2 algorithms 2 abinit 2 spectrum 2 frequency 2 sdft 2 transform 2 fourier 2 discrete 2 digital 2 sliding 2 dasp 2 processing 2 signal 2 sterimol-parameters 2 steric-parameters 2 bandstructure 2 symmetry-breaking 2 plotting 2 audio-processing 2 fftw 2 dft-calculations 2 semiconductors 2 point-defects 2 common-workflows 2 visualization 2 simulation 2 pytorch 2 catalysis 2 ai 2 slater-koster 2 hamiltonian 2 full-potential 2 quantum-espresso 2 juelich 2 elk 2 data-analysis 2 project 2