7 papers · ranked by Valyu relevance
Steven M. Muskal, Malcolm J. McGregor
A three-dimensional pharmacophore fingerprint records the binding features a molecule can present. It is a description of a hand in search of a glove. Because it is defined by presented features instead of two-dimensional structure, it can identify pharmacophoric similarity between structurally distinct compounds…
Yiming Xue, Xiaojian Liu, Weimin Zhu, Shengfan Wang + 2 more
While protein-RNA interactions are fundamental to post-transcriptional processes, achieving a holistic understanding of their regulatory logic remains challenging. Current computational models often treat binding affinity, interface mapping, and RNA design as isolated tasks, thereby failing to provide a unified…
Yilan Wu, Dun Jack Fu, Yukun Zhou, Siegfried K Wagner + 2 more
Background Large language model (LLM) agents capable of generating and executing statistical code from natural language may broaden access to clinical data analysis, yet which pipeline stages they perform reliably and which require expert oversight remain poorly defined. Objective This study aimed to evaluate the…
Amélie Barozet, Vincent Cabeli, Jean Ogier du Terrail, Alexey Rukhovich + 6 more
The development of climate-resilient crops would be greatly accelerated by models able to reason directly over plant genomic sequences and to pinpoint trait-associated regions or loci. Anticipating the impact of DNA base changes (variants) remains challenging, and understanding regulatory mechanisms is still an active…
Priyanka Bhutada, Nitin Goyal, Tatsam K. Lakhankiya, Sai D. Narahari + 8 more
Artificial Intelligence (AI) frameworks for automating scientific research have shown strong performance on benchmarks, but their utility for real-world industrial research remains insufficiently characterized. Extending the analysis presented in the first paper of this series, we evaluated the same five advanced AI…
Hao Ding, Nannan Wu, Tianyi Qiu
DNA foundation models such as Evo2 7B adopt hybrid Hyena/attention architectures (Striped-Hyena2) whose single-stream autoregressive decoding is bounded by weight bandwidth at ∼45 tok/s. Speculative decoding on such hybrids faces a systems problem that prior SSM work solves only partially: after a draft is verified…
William JF Rieger, Sebastian Häussermann, Luca Herrmann, Zecheng Li + 8 more
Enzymes frequently exhibit promiscuous activity beyond their native roles, providing starting-points for new functions. Finding these promiscuous enzymes, especially for non-native chemical transformations, is challenging but highly valuable, as they promise novel, sustainable solutions for chemistry and biotechnology.…