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physical-properties x

7 search results found

Mendeleev ⭐ 184

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation

Openff Evaluator ⭐ 47

A physical property evaluation toolkit from the Open Forcefield Consortium.

Mendeleev.jl ⭐ 17

A Julia package for accessing chemical elements data.

Mpds Ml Labs ⭐ 10

This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).

Neqsimexcelcapeopen ⭐ 6

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is the Excel and Cape Open user interface for NeqSim.

Thermodynamicstable.jl ⭐ 5

Physical Property Packages for Julia-Lang

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