piwheels

molpred

A framework for building machine- and deep-learning predictors for molecular characteristics using Hydronaut and Chemfeat.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install molpred

Dependencies

• simple-file-lock
• seaborn
• pandas
• scikit-learn
• matplotlib
• numpy
• hydronaut
• chemfeat

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
2023.7	2023-10-19
molpred-2023.7-py3-none-any.whl (24 KB)
2023.5	2023-10-03
molpred-2023.5-py3-none-any.whl (24 KB)
2023.4	2023-10-02
molpred-2023.4-py3-none-any.whl (24 KB)
2023.3	2023-10-02
molpred-2023.3-py3-none-any.whl (24 KB)
2023.2	2023-09-30
molpred-2023.2-py3-none-any.whl (23 KB)
2023.1	2023-09-25
molpred-2023.1-py3-none-any.whl (23 KB)

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