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

Releases

Version Released Buster
Python 3.7
Bullseye
Python 3.9
Bookworm
Python 3.11
Files
2023.7 2023-10-19      
2023.5 2023-10-03      
2023.4 2023-10-02      
2023.3 2023-10-02      
2023.2 2023-09-30      
2023.1 2023-09-25      

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Page last updated 2023-10-28 03:28:59 UTC