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!
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...