Organic Compound classification using Artificial Neural Network

Calculate Sterimol Parameters from Sructure Input/Output Files

Mass spectral libraries search tool (MSL-ST), used to enhance organic compounds' identification

mol - The Small Organic Chemistry Helper

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

Theorical yield calculator to acethysalici acid's synthesis

An Organic Chemistry module

Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors

published organic chemistry data

Optimization of organic chemistry catalysts using the coevolution approach

Extends the Paper QA package for use with the author's Zotero database papers in organic chemistry, drug discovery & development, cheminformatics and the applications of machine learning to these areas

A little project of mine to generate skeletal structures of organic compounds using Pygame