How to leverage protein structure and surface for fitness prediction?
Introducing S3F at #NeurIPS2024 - augmenting PLM with structure and surface encoder for protein fitness prediction!
🤔 How does structural information help in protein fitness prediction?
🚀 Excited to share our work S3F (Sequence-Structure-Surface Fitness) model at #NeurIPS2024, a multimodal model for zero-shot protein fitness prediction! 🧬 #AIforScience
Paper: arxiv.org/abs/2412.01108
1/🧵
Glad to share our updated survey paper on Geometric deep learning for Structure-based Drug Design (SBDD) arxiv.org/abs/2306.11768 The area is moving so fast and we may need to update every week 😂 @MengdiWang10@marinkazitnik
BREAKING NEWS
The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Chemistry with one half to David Baker “for computational protein design” and the other half jointly to Demis Hassabis and John M. Jumper “for protein structure prediction.”
BREAKING NEWS
The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Physics to John J. Hopfield and Geoffrey E. Hinton “for foundational discoveries and inventions that enable machine learning with artificial neural networks.”
🧵1/6 Happy to introduce ChemFlow:
Navigating Chemical Space with Latent Flows
arXiv: arxiv.org/abs/2405.03987
Demos are available at: colab.research.google.com/drive/1QAy_QoE…
Flows can uncover meaningful structures of latent spaces learned by generative models!
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