Labeled dataset of X-ray protein ligand images in 3D point cloud and validated deep learning models
The LigPCDS dataset creation followed six major steps (Fig. 1), which are summarized below and explained in detail in the next...
dataset
Computational Chemistry Unlocked: A Record-Breaking Dataset to Train AI Models has Launched
A leap forward in AI models Scientists around the world can now begin training their own MLIPs on OMol25. They...
A large-scale reaction dataset of mechanistic pathways of organic reactions
Reaction dataIn this paper, we used the reaction data extracted from USPTO grant patents collected by Lowe13, an organic reaction...
.jpg "IFW Dresden selects Agnitron Agilis 100 MOCVD platform for precursor chemistry and ultra-wide-bandgap materials development")
