We’re excited to release another update to the Boltz repo: v0.3.0. This release includes several important features, including our confidence model and low memory mode. Give it a try!

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Avatar Chris Swain @macinchem ·

23 Nov

A really interesting preprint caught my attention from Connor Coley’s group at MIT. ShEPhERD diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design https://macinchem.org/2024/11/23/shepherd-shape-electrostatics-and-pharmacophore-explicit-representation-diffusion/ #cheminformatics #RDKit

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Avatar Google DeepMind @googledeepmind ·

22 Nov

Watch → @YouTube
Spotify → https://goo.gle/4ifGv31
Apple Podcasts → https://goo.gle/490d7JL

Or listen wherever you get your podcasts! 🎧

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We had a bit of rain overnight.

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ShEPhERD: Shape, Electrostatics, and Pharmacophore Explicit Representation Diffusion

Vortex script to export multiple workspaces to individual sdf files.