Ecosyste.ms: Packages

python 40 materials 38 machine-learning 37 materials-informatics 36 chemistry 30 science 16 physics 15 computational-chemistry 14 workflow 13 crystallography 12 deep-learning 12 vasp 12 density-functional-theory 10 materials-design 10 matflow 10 dft 10 computational-workflow 9 matflow-software 8 molecular-dynamics 8 spectroscopy 8 microscopy 7 VASP 7 materials-genome 7 simulation 7 graph 6 machine learning 6 condensed-matter-physics 6 learning 6 pytorch 6 data-visualization 6 lammps 6 ab-initio 6 crystal-structure 5 structure 5 electron microscopy 5 data analysis 5 data-analysis 5 crystal 5 material-design 5 pymatgen 5 adaptive-learning 4 active-learning 4 augmented-expected-improvement 4 multi-dimensional 4 physical-sciences 4 TEM 4 deep 4 digital-transformation 4 tensorflow 4 STEM 4 machine 4 hyperspy 4 solid-state-physics 4 visualization 4 arpes 4 informatics 4 materials-discovery 4 photoemission 4 least-confidence 4 margin-sampling 4 opportunity-cost 4 predictive-entropy-search 4 probability-of-improvement 4 trail-path 4 upper-confidence-bound 4 knowledge-gradient 4 expected-improvement 4 aiida 4 materials-screening 4 atomistic-simulations 4 entropy-based-approach 4 bayesian-global-optimization 4 simulation-modeling 4 analysis 4 high-throughput 4 automation 3 thermodynamics 3 quantum-chemistry 3 band 3 pycalphad 3 calphad 3 materials-discoveries 3 ase 3 first-principles 3 data-science 3 electron energy loss spectroscopy 3 condensed-matter 3 EELS 3 computational-science 3 materials-project 3 bgolearn 3 mpes 3 mlmd 3 modeling 3 hacktoberfest 3 DFT 3 monte-carlo 3 atomistic 3 materials science 3 interatomic-potentials 3