Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...
Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...
CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical ...
Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...
Boltz-2 is an open-source biomolecular model achieving near-FEP accuracy with 1000x faster predictions for structure and binding affinity. MIT and Recursion have released Boltz-2, the first ...
Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...
KAIST researchers have developed an AI model that, using only information about the target protein, can design optimal drug candidates without any prior molecular data—opening up new possibilities for ...
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