Ecosyste.ms: Packages

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