Ecosyste.ms: Packages

python 46 science 45 materials-science 37 simulation 32 chemistry 23 groove-rolling 22 metal-forming 22 pyroll 22 rolling 22 materials-informatics 21 machine-learning 17 learning 15 physics 14 machine 13 graph 10 deep 10 materials-design 9 density-functional-theory 8 structure 8 vasp 8 AI 7 materials-genome 7 VASP 7 electronic 6 crystal 6 crystallography 6 ab-initio 6 neural 6 networks 6 deep-learning 6 symmetry 6 modeling 6 machine learning 5 DFT 5 material-design 5 artificial intelligence 5 force field 4 gaussian 4 dft 4 digital-transformation 4 simulation-modeling 4 active-learning 4 adaptive-learning 4 augmented-expected-improvement 4 structures 4 bayesian-global-optimization 4 entropy-based-approach 4 upper-confidence-bound 4 computational 4 trail-path 4 probability-of-improvement 4 predictive-entropy-search 4 opportunity-cost 4 energy 4 knowledge-gradient 4 margin-sampling 4 mc 4 least-confidence 4 analysis 4 prisms 4 expected-improvement 4 tensorflow 3 pycalphad 3 calphad 3 theory 3 active learning 3 sequential learning 3 density functional theory 3 c 3 thermodynamics 3 molecular 3 dynamics 3 defects 3 neural-networks 3 project 3 materials-commons 3 mlmd 3 bgolearn 3 mechanics 3 reduction 3 atoms 3 battery 3 environment 3 local 3 soap 3 crystal-structure 3 descriptor 3 first-principles 3 interatomic potential 3 informatics 3 ab-initio-simulations 2 transformer 2 granular-mechanics 2 liggghts 2 powder 2 SyteLine 2 phase 2 massagepassing 2 diagrams 2 topology 2