Yuanyuan Wang and Wenlei Zhu's group at Nanjing University, China, and Yuehe Lin at Washington State University, USA, ...

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of predicting ...

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For example, the atomic number of chlorine is 17. Every chlorine atom has 17 protons and 17 electrons. It has 17 positive charges and 17 negative charges, meaning that it is neutral overall. Atoms of ...