Estimate thermodynamic properties of aqueous organic compounds
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.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
aqorg-1.1.4.tar.gz
(39.9 kB
view details)
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
aqorg-1.1.4-py3-none-any.whl
(24.1 kB
view details)
File details
Details for the file aqorg-1.1.4.tar.gz.
File metadata
- Download URL: aqorg-1.1.4.tar.gz
- Upload date:
- Size: 39.9 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.10
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
29d27c6f4cfe9a2252772d0be2281d776ec48d4f4e4d0e283dfea874c85f6c29
|
|
| MD5 |
92b46f1ccb927ef8ece5e582e73a7721
|
|
| BLAKE2b-256 |
73430614641060f688309bad88465b3f9e39dac4b90e96f534b9c42867d71365
|
File details
Details for the file aqorg-1.1.4-py3-none-any.whl.
File metadata
- Download URL: aqorg-1.1.4-py3-none-any.whl
- Upload date:
- Size: 24.1 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.10
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
5d396ebb5e08eb99f986349f9a5b717c6ac0b2eecc4b7aac31d8925e7805d06f
|
|
| MD5 |
bf208ab0a25080bca906b5e575c52c8b
|
|
| BLAKE2b-256 |
c3f479fd265adf457a191529d38cd4cec761afd03f105bc2ace70814667bcf36
|
