Skip to content

The code repository contains experimentation on the OpenChem Framework to predict solubilities of small molecules in organic solvents

Notifications You must be signed in to change notification settings

rnaimehaom/OpenChem-Implementation-for-Prediction-Solubility

 
 

Repository files navigation

OpenChem-Implementation-for-Prediction-Solubility

The code repository contains experimentation on the OpenChem Framework to predict solubilities of small molecules in organic solvents The example config folder has code that was used for predicting solubility of organic solvents such as Benzene, Acetone and Ethanol. The same can be used in conjuction with the main OpenChem framework hosted here - https://github.com/Mariewelt/OpenChem

The dataset used in this experimentation is available at - https://doi.org/10.5281/zenodo.3686212

Also the results of the experiment are available in this repository. Please check the file Experimentation Results.

About

The code repository contains experimentation on the OpenChem Framework to predict solubilities of small molecules in organic solvents

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • Jupyter Notebook 85.3%
  • Python 14.7%