Estimate thermodynamic properties of aqueous organic compounds

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License: MIT License

Author: Grayson Boyer

Requires: Python >=3.6

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Project description

AqOrg

Estimate the thermodynamic properties and HKF parameters of aqueous organic molecules using second order group additivity methods. This Jupyter notebook demo introduces the underlying concepts.

Installation

Install AqOrg with pip:

$ pip install AqOrg

Usage

See this Jupyter notebook demo for examples.

Project details

Verified details

These details have been verified by PyPI
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Avatar for gmboyer from gravatar.com gmboyer

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GitHub Statistics

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

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License: MIT License

Author: Grayson Boyer

Requires: Python >=3.6

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0.1.15

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0.1.3

0.1.2

0.1.1

0.1.0

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