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Computational chemistry unlocked: A record-breaking dataset to train AI models has launched

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

Ultra‑robust machine‑learning models run stable molecular simulations at extreme temperatures

Researchers at The University of Manchester have created a physics‑informed machine‑learning model that can run molecular simulations for unprecedented lengths of time, even at temperatures as high as ...
EurekAlert!

Teaching AI the language of molecules: how MMAI Gym and Liquid Intelligence are solving the “brute force” crisis in drug discovery

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific ...
C&EN

New model clarifies why water freezes at a range of temperatures

NEW ORLEANS, March 20, 2024 — From abstract-looking cloud formations to roars of snow machines on ski slopes, the transformation of liquid water into solid ice touches many facets of life. Water’s ...
Business Wire

Enveda Biosciences Announces Microsoft Collaboration and Reveals Foundation Model to “Read and Translate” Chemistry

BOULDER, Colo.--(BUSINESS WIRE)--Enveda Biosciences (“Enveda”), a biotechnology company using AI to translate nature into new medicines, announced today a new collaboration with Microsoft and released ...
C&EN

Large language model guides exploration of the dark metabolome

A close-up image of a time-of-flight mass spectrometer, with several metal tips all pointing at one location. Mass spectrometry, conducted with instruments such as the one shown, can uncover human ...
MIT Technology Review

Why AI could eat quantum computing’s lunch

Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all. Tech companies have been ...