226 entries · Projects

pycalphadCommunity indexed

Calculate phase equilibria and thermodynamic properties using CALPHAD models.

Research discipline Materials engineeringReusable outputs 1
Materials engineeringpycalphad/pycalphad
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GitHub · pycalphad/pycalphadStars 409Forks 139
PyDyCommunity indexed

Derive equations of motion and simulate multibody systems from symbolic models.

Research discipline Mechanical engineeringReusable outputs 1
Mechanical engineeringpydy/pydy
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GitHub · pydy/pydyStars 416Forks 121
pyGIMLiCommunity indexed

Build geophysical forward-modeling and inversion workflows with method-specific observations, models and numerical meshes.

Research discipline Earth and related environmental sciencesReusable outputs 1
Earth and related environmental sciencesgimli-org/pyGIMLi
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GitHub · gimli-org/pyGIMLiStars 507Forks 163
pymatgenCommunity indexed

Perform advanced analysis of materials structures, properties and computational results.

Research discipline Materials engineeringReusable outputs 1
Materials engineeringmaterialsproject/pymatgen
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GitHub · materialsproject/pymatgenStars 2KForks 969
PyMCCommunity indexed

Fit probabilistic models with MCMC and variational inference to estimate posterior distributions.

Research discipline MathematicsReusable outputs 1
Mathematicspymc-devs/pymc
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GitHub · pymc-devs/pymcStars 9.8KForks 2.3K
PyomoCommunity indexed

Build algebraic optimization models and connect problem instances to external solvers.

Research discipline MathematicsReusable outputs 1
MathematicsPyomo/pyomo
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GitHub · Pyomo/pyomoStars 2.5KForks 588
pysamCommunity indexed

Read and manipulate sequencing alignments and variant files through a Python interface to HTS tools.

Research discipline Biological sciencesReusable outputs 1
Biological sciencespysam-developers/pysam
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GitHub · pysam-developers/pysamStars 910Forks 302
PySCFCommunity indexed

Develop and run quantum-chemistry calculations using a Python framework and separately selected extension modules.

Research discipline Chemical sciencesReusable outputs 1
Chemical sciencespyscf/pyscf
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GitHub · pyscf/pyscfStars 1.7KForks 746

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