Nikhil Shenoy

@nikhilshenoy.bsky.social

Working on simulating molecules with AI @valenceai.bsky.social, @recursionpharma.bsky.social | Ex UBC, IIT Delhi For more details: shenoynikhil.com

Now you can generate equilibrium conformations for your small molecule in 3 lines of code with ET-Flow! Awesome effort put in by @fntwin.bsky.social!

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Yoon@jyoonlee.bsky.social · 2y ago

We’re excited to present ET-Flow at #NeurIPS 2024—an Equivariant Flow Matching model that combines simplicity, efficiency, and precision to set a new standard for 3D molecular conformer generation. 🔖Paper: arxiv.org/abs/2410.22388 🔗Github: github.com/shenoynikhil...