A Model Context Protocol (MCP) based satellite orbit calculation and visualization server. This server provides a suite of tools for satellite orbital dynamics calculations, orbit prediction, ...

We introduce MoltiTox, a novel multimodal fusion model for molecular toxicity prediction, designed to overcome the limitations of single-modality approaches in drug discovery. MoltiTox integrates four ...

Data-driven deep learning algorithms provide accurate prediction of high-level quantum-chemical molecular properties. However, their inputs must be constrained to the same quantum-chemical level of ...

Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. While direct hot-carrier transfer can increase photocatalytic activity, it is ...

Density is a fundamental material property that can be used to determine a variety of other properties and the material’s feasibility for various applications, such as with energetic materials.

Poor protein developability is a critical hindrance to biologic discovery and engineering. Experimental capacity limits variant analysis. We demonstrate the ability of an on-yeast protease assay, a ...

The difference between brain age estimated from MRI and chronological age is thought to serve as an important biomarker reflecting pathological processes in the brain. Several recent studies showed ...

Protein phase separation is implicated in formation of membraneless organelles, signaling puncta and the nuclear pore. Multivalent interactions of modular binding domains and their target motifs can ...

Reaction prediction remains one of the major challenges for organic chemistry and is a prerequisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, “learn” ...