Gaurav Vishwakarma

<i>ChemML</i> : A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data

Mojtaba Haghighatlari, Gaurav Vishwakarma, Doaa Altarawy et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2020 · 63 citations · Full text

Metrics for Benchmarking and Uncertainty Quantification: Quality, Applicability, and Best Practices for Machine Learning in Chemistry

Gaurav Vishwakarma, Aditya Sonpal, Johannes Hachmann · Trends in Chemistry · 2021 · 62 citations · Full text

Engineering, Machine Learning, Data Science +10

ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data

Mojtaba Haghighatlari, Gaurav Vishwakarma, Doaa Altarawy et al. · 2019 · 21 citations · Full text

Open Machine Learning, Engineering, Machine Learning +23

ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data

Mojtaba Haghighatlari, Gaurav Vishwakarma, Doaa Altarawy et al. · 2019 · 19 citations · Full text

Open Machine Learning, Engineering, Machine Learning +21

A Physics-Infused Deep Learning Model for the Prediction of Refractive Indices and Its Use for the Large-Scale Screening of Organic Compound Space

Mojtaba Haghighatlari, Gaurav Vishwakarma, Mohammad Atif Faiz Afzal et al. · 2019 · 12 citations · Full text

Artificial Intelligence, Engineering, Machine Learning +20