Open Molecular Software Foundation

“Theorganizationhasoneclassofmembership.theprimaryrightandobligationof the membersisto electaneffectiveboardofdirectors.”

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“The Conflict of Interest Policy is adopted by the Board of Directors of the Open Molecular Software Foundation to protect the interests of the Foundation when it is contemplating entering into a transaction or arrangement that might benefit the private interest of an officer, member of the Board, or any other member of a committee with powers delegated by the Board or which might result in a possible excess benefit transaction.”

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“In 2024, the Open Rosetta project received an NSF POSE grant to build sustainable open source practices around their community and newly developed ML tools. They have grown the team at OMSF and organized several successful events: Winter RosettaCon in Boston (Feb 2024), Summer RosettaCon in Seattle (Aug 2024), and a user workshop in Nashville in Jul 2024. The RosettaCommons community is committed to responsible development of or the responsible development of AI tools for the life sciences, and as a part of those efforts, they introduced the Biosecurity Fellow role to bridge the gap between scientists and policymakers. Open Rosetta is funded by the Rosetta Commons, University of Washington. More information about Rosetta can be found on the Rosetta Commons website: https://rosettacommons.orgBoston Protein Design and Modeling ClubThe Boston Protein Design and Modeling Club (BPDMC) unites computational protein engineers and modelers from academia and industry. Founded in 2017, its a hub for collaborative innovation in protein design and modeling. The club hosts monthly meetings featuring dinner, drinks, seminars, workshops, and discussions, providing a rich environment for networking and intellectual exchange. These gatherings are dynamic, rotating across various Boston locations, and invite members to delve into the latest scientific advancements while fostering lasting connections. OMSF provides administrative support to the project. The full list of speakers in 2024 can be found here: https://www.bpdmc.org/archive/2024. Program ServicesASAP AViDD (MSKCC)AI-driven Structure-enabled Antiviral Platform (ASAP) Consortium used artificial intelligence and computational chemistry to accelerate structure-based open science antiviral drug discovery and deliver oral antivirals for pandemics with the goal of global, equitable, and affordable access. ASAP Consortium was an NIH-funded project via the Antiviral Drug Discovery (AViDD) U19 Centers and a part of the Antiviral Program for Pandemics. This project was administered by MSKCC, but spans a number of international institutions, from universities to biotech startups and large infrastructure facilities for determining protein structure, such as Diamond Light Source in the UK. MSKCC continued to work with OMSF on integration of open source tools developed under the OMSF umbrella (OpenFF, OpenFE) into their computational pipeline with a very specific application discovering new antivirals in silico and bringing them all the way to clinical trials. Accurate force fields for small molecules and free energy calculations are an integral part of the computational work in drug discovery. The resulting jointly developed infrastructure and data was released under open licenses for easier reuse. In Dec 2024, OpenADMET and ASAP teams jointly launched a blind challenge for predictive modeling in collaboration with Polaris based on the experimental datasets collected during the ASAP AViDD project (see here for more details: https://polarishub.io/blog/antiviral-competition). Community-oriented programsAlchemistryThe goal of this project is to bring together experts in free energy calculations and related methods to share their scientific advancements and achievements, and encourage an open dialogue for challenges in the field between practitioners in industry and academia by organizing annual gatherings with the location alternating between the US and Europe. The Free Energy Workshop in May 2024 was held in Leiden (Netherlands) and OMSF Symposium was leaning against this event, as many of our industry stakeholders were in attendance of the Free Energy Workshop. Please find more details about this initiative at their website: https://alchemistry.org/. Virtual School of Computational ChemistryVirutal School of Computational Chemistry is an educational initiative with the mission to support scientists worldwide through accessible education and facilitation of communication with international experts in”