๐๐๐ The largest ever dataset of co-folded 3D protein-ligand structures just dropped on HF!!
Meet SAIR (Structurally Augmented ICโ โ Repository): 5M+ AI-generated complexes with experimentally measured drug potency data from SandboxAQ. ๐๐๐
Snooping on HF is the best because sometimes you just discover that someone (in this case, Earth Species Project) is about to drop terabytes of sick (high quality animal sounds) data...
Just dropped two bigger physics datasets (both on photonics)!
NUMBA 1: SIB-CL This dataset of Surrogate- and Invariance-Boosted Contrastive Learning (SIB-CL) datasets for two scientific problems: - PhC2D: 2D photonic crystal density-of-states (DOS) and bandstructure data. - TISE: 3D time-independent Schrรถdinger equation eigenvalue and eigenvector solutions.
NUMBA2: 2D Photonic Topology Symmetry-driven analysis of 2D photonic crystals: 10k random unit cells across 11 symmetries, 2 polarizations, 5 contrasts. Includes time-reversal breaking cases for 4 symmetries at high contrast.