The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Abstract
Details
- Title: Subtitle
- The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
- Creators
- Karmen Čondić-Jurkić - Open Molecular Software FoundationIrfan Alibay - Open Molecular Software FoundationWoody Sherman - Psithera, 66 Galen Street, Watertown, Massachusetts 02472, United StatesMallory R Tollefson - Open Molecular Software FoundationW Patrick Walters - Open Molecular Software FoundationZachary Baker - Open Molecular Software FoundationLillian T Chong - University of PittsburghJennifer N Wei - Open Molecular Software FoundationJeffrey Gray - Johns Hopkins UniversityBrian D Weitzner - Medpace (United States)Daniel G A Smith - Sustainable Sciences InstituteJulia Koehler Leman - Open Molecular Software FoundationChris Bahl - Harvard UniversityDavid L Mobley - University of California, Irvine
- Resource Type
- Journal article
- Publication Details
- Journal of chemical information and modeling, Vol.66(6), pp.2967-2984
- DOI
- 10.1021/acs.jcim.5c03137
- PMID
- 41805121
- NLM abbreviation
- J Chem Inf Model
- ISSN
- 1549-9596
- eISSN
- 1549-960X
- Publisher
- American Chemical Society
- Grant note
- National Institutes of Health: R01GM132386 National Science Foundation (NSF) (POSE): NSF-TI 2346068, TI-2303740 Rosetta CommonsChan Zuckerberg Initiative (CZI): EOSS5 2022-252547 Advanced Research Projects Agency for Health (ARPA-H) under "AVOID-OME: Structurally enabling the "avoid-ome" to accelerate drug discovery"
The authors thank all contributors and advisors to the OMSF ecosystem, who are too many to mention. The work described in this Perspective was made possible by financial and in-kind contributions from our current and past industrial partners-the list of partners for each consortium can be found on the project websites (openforcefield.org, openfree.energy, openfold.io, and openadmet.org). This effort also benefited significantly from strategic grant funding. The OpenFF Initiative appreciates support from the National Institutes of Health (R01GM132386). J.K.L. acknowledges funding from the National Science Foundation (NSF) (POSE Grant NSF-TI 2346068) and the Rosetta Commons. K.C.-J. acknowledges support from NSF (POSE Grant TI-2303740) and the Chan Zuckerberg Initiative (CZI EOSS5 2022-252547) for our ecosystem-building initiatives. Finally, OpenADMET research reported in this publication was supported by the Advanced Research Projects Agency for Health (ARPA-H) under "AVOID-OME: Structurally enabling the "avoid-ome" to accelerate drug discovery" and Award 1AY1AX000035-01. The ARPA-H award provided 80% of total costs and a total of $3,739,838.00. The content is solely the responsibility of the authors and does not necessarily represent the official views of the U.S. Department of Health and Human Services, ARPA-H, or the U.S. Government.
- Language
- English
- Electronic publication date
- 03/10/2026
- Date published
- 03/23/2026
- Academic Unit
- Biochemistry and Molecular Biology
- Record Identifier
- 9985144855402771