alchemlyb: the simple alchemistry library
Zhiyi Wu, David Dotson, Irfan Alibay, Bryce K. Allen, Mohammad Soroush Barhaghi, Jérôme Hénin, Thomas T. Joseph, Ian M. Kenney, Hyungro Lee, Haoxi Li, Victoria T. Lim, Shuai Liu, Domenico Marson, Pascal T. Merz, Alexander Schlaich, David L. Mobley, Michael R. Shirts, Oliver Beckstein
Abstract
effectively.
Topics & Concepts
Simple (philosophy)Computer scienceMathematicsPhilosophyEpistemologyVarious Chemistry Research TopicsComputational Drug Discovery MethodsProtein Structure and Dynamics