Doaa Altarawy
Sion Power (United States)(US)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Gene Regulatory Network Analysis, Bioinformatics and Genomic Networks, Protein Structure and Dynamics
Most-Cited Works
- → New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community(2019)2,202 cited
- → Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen(2019)354 cited
- → Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science(2018)102 cited
- → The MolSSI QCA rchive project: An open‐source platform to compute, organize, and share quantum chemistry data(2020)89 cited
- → PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces(2019)77 cited
- → ChemML : A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data(2020)63 cited
- → Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs(2021)42 cited
- → The MolSSI QCArchive Project: An Open-Source Platform to Compute, Organize, and Share Quantum Chemistry Data(2020)34 cited
- → Lascad : Language-agnostic software categorization and similar application detection(2018)22 cited
- → ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data(2019)21 cited