I will be at #ASHG25 next week as both moderator and panelist! Looking forward to a great discussion and connecting with everyone there!

I’m excited to have our perspective on virtual cells out.

1/ At Valence Labs, @recursionpharma.bsky.social's AI research engine, we’re focused on advancing drug discovery outcomes through cutting-edge computational methods Today, we're excited to share our vision for building virtual cells, guided by the predict-explain-discover framework 🧵

Elucidating structures from spectra using multimodal embeddings and discrete optimization Representations of NMR spectra contrasted against molecular graph representations. Contrastive learning used for learned database look-up -- nice! P: chemrxiv.org/engage/chemr...

Excited to present our paper "Towards a General Recipe for Combinatorial Optimization with Multi-Filter GNNs" as a Spotlight at @logconference.bsky.social 2024! 🎉 We propose GCON, a novel GNN framework for tackling CO problems. 📜 arxiv.org/abs/2405.20543 🛠 github.com/WenkelF/copt 🧵[1/n]

This is "the event" if you are at NeurIPS this year.

We curated 40+ quantum mechanics datasets, covering 250+ quantum methods & 1.5B geometries. All of this is easily accessible through the OpenQDC library. 🧵 Harness the power of QM data with a single line of code: www.openqdc.io Read the blog: www.valencelabs.com/blog-posts/o...