Deep learning

Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets
We introduce SAFER, an updated molecular encoding scheme that improves the correctness of the representations, and use it to build a latent-variable transformer model for generative tasks.
Ulrich A. Mbou Sob, Qiulin Li, Miguel Arbesú Andrés, Oliver Bent, Andries P. Smit, Arnu Pretorius
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Generative Model for Small Molecules with Latent Space RL Fine-Tuning to Protein Targets
FrameDiPT: SE(3) Diffusion Model for Protein Structure Inpainting
We introduce FrameDiPT, a diffusion model for protein structure inpainting that captures conformational distributions.
Cheng Zhang, Adam Leach, Thomas Makkink, Miguel Arbesú Andrés, Ibtissem Kadri, Daniel Luo, Liron Mizrahi, Sabrine Krichen, Maren Lang, Andrey Tovchigrechko, Nicolas Lopez Carranza, Uğur Şahin, Karim Beguir, Michael Rooney, Yunguan Fu
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FrameDiPT: SE(3) Diffusion Model for Protein Structure Inpainting