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[R] A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
Dec. 13, 2023, 1:22 p.m. | /u/chaitjo
Machine Learning www.reddit.com
We’ve just released a “Hitchhiker’s Guide” for getting started with deep neural nets for 3D structural biology & chemistry -- we think it will be useful for newcomers to start their learning journey on the core architectures powering recent breakthroughs of graph ML in protein design, material discovery, molecular simulations, and more!
📝 PDF: [https://arxiv.org/abs/2312.07511](https://arxiv.org/abs/2312.07511)
👥 Authors: *Alexandre Duval, Simon V. Mathis, Chaitanya K. Joshi, Victor Schmidt, Santiago …
architectures biology chemistry core gnns guide journey machinelearning neural nets systems think will
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