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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Yingze Wang

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Open access Aug 2026

LinkLlama: Enabling a Large Language Model for Chemically Reasonable Linker Design.

LinkLlama is presented, a fine-tuned Meta Llama 3 model that bridges the gap between text-based generation and 3D spatial awareness, offering a highly controllable and chemically robust framework to accelerate linker design and drug discovery in general.

Kun-Yang Sun, Ying-Ze Wang, Justin Purnomo et al. · 0 citations
Open access Jul 2026

TorchFF: A high-performance GPU-accelerated differentiable force field library.

Molecular dynamics (MD) and the development of next-generation force fields increasingly rely on automatic differentiation for efficient simulated property prediction and parameter optimization. However, standard FFs and machine learning frameworks often suffer from significant performance bottlenecks-such as kernel la...

Yingze Wang, Aalim S Abdullah, Rohith Srinivaas Mohanakrishnan et al. · 0 citations

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