Machine learning-aided generative molecular design

Machine learning-aided generative molecular design

Machine learning has provided a means to accelerate early-stage drug discovery by combining molecule generation and filtering steps in a single architecture that leverages the experience and design preferences of medicinal chemists. However, designing machine learning models that can achieve this on the fly to the satisfaction of medicinal chemists remains a challenge owing to the enormous search space. Researchers have addressed de novo design …

Meta releases new data set, AI model aimed at speeding up scientific research

The ScoopMeta released a massive trove of chemistry data Wednesday that it hopes will supercharge scientific research, and is also crucial for the development of more advanced, general-purpose AI systems.The company used the data set to build a powerful new AI model for scientists that can speed up the time it takes to create new drugs and materials.The Open Molecules 2025 effort required 6 billion compute hours to create, and is the result of 1…

Meta introduces OMol25 and UMA, new open AI tools for molecular research

Meta has released OMol25, the largest open dataset to date for AI-driven chemistry, and introduced UMA, a universal AI model designed to predict chemical properties of molecules and materials. The article Meta introduces OMol25 and UMA, new open AI tools for molecular research appeared first on THE DECODER.

Meta AI Science Boosts Research with Open Data & Models

The Meta AI Science initiative has launched “Open Molecules 2025,” a massive open-source dataset, alongside pre-trained AI models, aimed at significantly speeding up research in computational chemistry, materials science, and drug discovery. This release represents a major contribution to the open science community, providing powerful tools for AI-driven molecular modeling and property prediction. MENLO PARK, CA – In a significant development f…

Meta Unveils Groundbreaking Open Molecules 2025: A Quantum Leap in AI-Driven Scientific Research

Meta unveiled a groundbreaking initiative on Wednesday that promises to transform scientific research, particularly in computational chemistry. The tech giant released Open Molecules 2025 (OMol25), an unprecedented dataset containing more than 100 million molecular simulations, alongside a powerful new AI model designed to accelerate scientific discoveries in fields ranging from drug development to materials science. Unprecedented Scale of Compu…

Meta releases the Open Molecules 2025 dataset and the Universal Model for Atoms, a family of AI models, to accelerate the development of new drugs and materials

Reed Albergotti / Semafor: Meta releases the Open Molecules 2025 dataset and the Universal Model for Atoms, a family of AI models, to accelerate the development of new drugs and materials  —  THE SCOOP  —  Meta released a massive trove of chemistry data Wednesday that it hopes will supercharge scientific research …