MAINFRAME, an international, Open Science, ML Network to advance pre-competitive drug discovery

We recently launched MAINFRAME—an international, open-science network of machine learning scientists and computational chemists. MAINFRAME seeks to harness the data produced by Target2035 and AI to develop more robust, open-source hit identification methods for the benefit of all. The release of binding data orders of magnitude greater than what is currently available offers an unprecedented opportunity to enhance AI-driven hit identification and develop more generalizable, foundational models. At MAINFRAME, we are committed to keeping these models open-source and accessible to the whole scientific community. We invite all interested scientists to join us in this mission.

Institutions

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-05-02
DOI
https://doi.org/10.5281/zenodo.15329150
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
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article

MAINFRAME, an international, Open Science, ML Network to advance pre-competitive drug discovery

Zenodo (CERN European Organization for Nuclear Research)
Computational Drug Discovery Methods
article

MAINFRAME, an international, Open Science, ML Network to advance pre-competitive drug discovery

article en

Abstract

We recently launched MAINFRAME—an international, open-science network of machine learning scientists and computational chemists. MAINFRAME seeks to harness the data produced by Target2035 and AI to develop more robust, open-source hit identification methods for the benefit of all. The release of binding data orders of magnitude greater than what is currently available offers an unprecedented opportunity to enhance AI-driven hit identification and develop more generalizable, foundational models. At MAINFRAME, we are committed to keeping these models open-source and accessible to the whole scientific community. We invite all interested scientists to join us in this mission.

Zenodo (CERN European Organization for Nuclear Research)
Institut d'Investigació Biomédica de Bellvitge (ES), Institute of Cancer Research (CA), Advanced Cancer Therapeutics (US)
Partnerships for the goals
Openalex Percentile: Top 59%
Computational Drug Discovery Methods
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