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Hansen Solubility Parameters (HSP) core functions.

Project description

Hansen Solubility Parameters (HSP) core functions.

Installation

Install hspcore easily with pip:

pip install hspcore

Usage Example

from hspcore import get_hsp
#hsp grid is a list of solvents as [[Solvent,D,P,H,Score],...]
hsp_grid = [
    ['Acetonitrile', 15.3, 18.0, 6.1, 1],
    ['1-Bromonaphthalene', 20.6, 3.1, 4.1, 6],
    ['n-Butyl Acetate', 15.8, 3.7, 6.3, 3],
    ...
]

hsp,radius,error = get_hsp(hsp_grid)

Project details


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