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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations.

, , , , , , , , , , and . Comput. Phys. Commun., 181 (9): 1477-1489 (2010)

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Integrated Data and Task Management for Scientific Applications., , , , , and . ICCS (1), volume 5101 of Lecture Notes in Computer Science, page 20-31. Springer, (2008)Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution., , , , , and . J. Comput. Chem., 38 (18): 1631-1639 (2017)NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations., , , , , , , , , and 1 other author(s). Comput. Phys. Commun., 181 (9): 1477-1489 (2010)World of Code: Enabling a Research Workflow for Mining and Analyzing the Universe of Open Source VCS data., , , , , , , , and . CoRR, (2020)Ecosystem-level determinants of sustained activity in open-source projects: a case study of the PyPI ecosystem., , and . ESEC/SIGSOFT FSE, page 644-655. ACM, (2018)CDFTPY: A python package for performing classical density functional theory calculations for molecular liquids., , and . Comput. Phys. Commun., (2022)World of code: enabling a research workflow for mining and analyzing the universe of open source VCS data., , , , , , , , and . Empir. Softw. Eng., 26 (2): 22 (2021)External Factors in Sustainability of Open Source Software.. Carnegie Mellon University, USA, (2021)NWChem., , , , , , and . Encyclopedia of Parallel Computing, Springer, (2011)