nitinmad
ChemE PhD student at the University of Buffalo SUNY in the Hachmann lab.
University at Buffalo SUNY
nitinmad's Stars
rxn4chemistry/rxn4chemistry
Python wrapper for the IBM RXN for Chemistry API
maneetgoyal/chemical-kinetics-predictor
A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Chemical Kinetics Database.
hachmannlab/chemml
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
stephencwelch/Neural-Networks-Demystified
Supporting code for short YouTube series Neural Networks Demystified.
hachmannlab/chembddb
ChemBDDB is a big data database generator and toolkit for chemical and materials data.
hachmannlab/chemlg
ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.