David L. Dotson

According to our database, David L. Dotson authored at least 6 papers between 2016 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

alchemlyb: the simple alchemistry library.

Zhiyi Wu, David L. 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

J. Open Source Softw., 2024

2022

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale.

Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner, Joshua A. Mitchell, Trevor Gokey, David L. Dotson, Pavan Kumar Behara, Venkata Krishnan Ramaswamy, Mark Mackey, John D. Chodera, Jamshed Anwar, David L. Mobley, Daniel J. Cole

J. Chem. Inf. Model., 2022

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.

Lorenzo D'amore, David F. Hahn, David L. Dotson, Joshua T. Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David L. Mobley, Arjun Narayanan, Christina E. M. Schindler, William C. Swope, Pieter J. in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern

J. Chem. Inf. Model., 2022

SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials.

Peter K. Eastman, Pavan Kumar Behara, David L. Dotson, Raimondas Galvelis, John E. Herr, Josh T. Horton, Yuezhi Mao, John D. Chodera, Benjamin P. Pritchard, Yuanqing Wang, Gianni De Fabritiis, Thomas E. Markland

CoRR, 2022

2016

MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations.

Richard J. Gowers, Max Linke, Jonathan Barnoud, Tyler J. E. Reddy, Manuel N. Melo, Sean L. Seyler, Jan J. Domanski, David L. Dotson, Sébastien Buchoux, Ian M. Kenney, Oliver Beckstein

Proceedings of the 15th Python in Science Conference 2016 (SciPy 2016), Austin, Texas, July 11, 2016

datreant: persistent, Pythonic trees for heterogeneous data.

David L. Dotson, Sean L. Seyler, Max Linke, Richard J. Gowers, Oliver Beckstein

Proceedings of the 15th Python in Science Conference 2016 (SciPy 2016), Austin, Texas, July 11, 2016