Ecosyste.ms: Packages

python 48 science 45 materials-science 39 simulation 32 chemistry 22 rolling 22 pyroll 22 metal-forming 22 groove-rolling 22 materials-informatics 21 machine-learning 18 learning 16 physics 14 machine 14 deep 10 graph 10 materials-design 9 structure 9 density-functional-theory 8 vasp 8 materials-genome 7 AI 7 VASP 7 crystal 6 electronic 6 modeling 6 crystallography 6 ab-initio 6 symmetry 6 deep-learning 6 neural 6 networks 6 material-design 5 machine learning 5 DFT 5 artificial intelligence 5 augmented-expected-improvement 4 adaptive-learning 4 active-learning 4 computational 4 bayesian-global-optimization 4 entropy-based-approach 4 expected-improvement 4 knowledge-gradient 4 least-confidence 4 margin-sampling 4 structures 4 dft 4 energy 4 force field 4 opportunity-cost 4 predictive-entropy-search 4 probability-of-improvement 4 trail-path 4 upper-confidence-bound 4 descriptor 4 digital-transformation 4 simulation-modeling 4 gaussian 4 analysis 4 mechanics 3 atoms 3 neural-networks 3 theory 3 high-throughput 3 tensorflow 3 informatics 3 first-principles 3 crystal-structure 3 molecular 3 bgolearn 3 dynamics 3 mlmd 3 project 3 interatomic potential 3 mc 3 c 3 prisms 3 reduction 3 environment 3 local 3 soap 3 thermodynamics 3 pycalphad 3 calphad 3 defects 3 active learning 3 sequential learning 3 density functional theory 3 battery 3 atomistic-simulations 2 data_science 2 transport 2 quantum-espresso 2 critical-raw-materials 2 footprint 2 lca 2 sustainability 2 powder 2 waste 2