| New basis set exchange: An open, up-to-date resource for the molecular sciences community BP Pritchard, D Altarawy, B Didier, TD Gibson, TL Windus Journal of chemical information and modeling 59 (11), 4814-4820, 2019 | 1940 | 2019 |
| Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science A Krylov, TL Windus, T Barnes, E Marin-Rimoldi, JA Nash, B Pritchard, ... The Journal of chemical physics 149 (18), 2018 | 95 | 2018 |
| The MolSSI QCArchive project: An open‐source platform to compute, organize, and share quantum chemistry data DGA Smith, D Altarawy, LA Burns, M Welborn, LN Naden, L Ward, S Ellis, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1491, 2021 | 92 | 2021 |
| ChemML: A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data M Haghighatlari, G Vishwakarma, D Altarawy, R Subramanian, BU Kota, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1458, 2020 | 84 | 2020 |
| PES-Learn: An open-source software package for the automated generation of machine learning models of molecular potential energy surfaces AS Abbott, JM Turney, B Zhang, DGA Smith, D Altarawy, HF Schaefer III Journal of chemical theory and computation 15 (8), 4386-4398, 2019 | 79 | 2019 |
| Quantum chemistry common driver and databases (QCDB) and quantum chemistry engine (QCEngine): Automation and interoperability among computational chemistry programs DGA Smith, AT Lolinco, ZL Glick, J Lee, A Alenaizan, TA Barnes, ... The Journal of chemical physics 155 (20), 2021 | 40 | 2021 |
| Lascad: Language-agnostic software categorization and similar application detection D Altarawy, H Shahin, A Mohammed, N Meng Journal of Systems and Software 142, 21-34, 2018 | 29 | 2018 |
| Janus: An extensible open-source software package for adaptive QM/MM methods B Zhang, D Altarawy, T Barnes, JM Turney, HF Schaefer III Journal of chemical theory and computation 15 (8), 4362-4373, 2019 | 16 | 2019 |
| Expresso: a database and web server for exploring the interaction of transcription factors and their target genes in Arabidopsis thaliana using ChIP-Seq peak data D Aghamirzaie, KR Velmurugan, S Wu, D Altarawy, LS Heath, R Grene F1000Research 6, 2017 | 16 | 2017 |
| BCL:: Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization O Vu, J Mendenhall, D Altarawy, J Meiler Journal of computer-aided molecular design 33, 477-486, 2019 | 11 | 2019 |
| MProfiler: A profile-based method for dna motif discovery D Altarawy, MA Ismail, SM Ghanem Pattern Recognition in Bioinformatics: 4th IAPR International Conference …, 2009 | 10 | 2009 |
| PEAK: integrating curated and noisy prior knowledge in gene regulatory network inference D Altarawy, FE Eid, LS Heath Journal of Computational Biology 24 (9), 863-873, 2017 | 9 | 2017 |
| Developmental gene regulatory network connections predicted by machine learning from gene expression data alone J Zhang, F Ibrahim, E Najmulski, G Katholos, D Altarawy, LS Heath, ... Plos one 16 (12), e0261926, 2021 | 5 | 2021 |
| PlantSimLab-a modeling and simulation web tool for plant biologists S Ha, E Dimitrova, S Hoops, D Altarawy, M Ansariola, D Deb, ... BMC bioinformatics 20, 1-11, 2019 | 5 | 2019 |
| PEAK Predicts Gene Regulatory Network Linkages during Sea Urchin Development with High Sensitivity from Gene Expression Data Alone J Zhang, F Ibrahim, D Altarawy, LS Heath, S Tulin | | 2021 |
| MolSSI quantum chemistry archive project D Smith, L Naden, D Altarawy, M Welborne ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Janus: An open-source python library for the use and implementation of adaptive QM/MM methods B Zhang, D Altarawy, T Barnes, J Turney, H Schaefer ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| MoISSI: Working together to build better software for tomorrow T Windus, C Clementi, R Harrison, T Head-Gordon, S Jha, A Krylov, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Computational Chemistry Software and Its Advancement as Illustrated through Three Grand Challenge Cases for Molecular Science A Krylov, TL Windus, T Barnes, E Marin-Rimoldi, JA Nash, B Pritchard, ... | | |
Daniel G. A. SmithEntos, Inc確認したメール アドレス: entos.ai