Notes on MatterSim

Good read. Well written, very detailed and thorough. Great contribution.

Orb latent space to Tc prediction

After reading the MatterSim paper, the authors proposed the idea of using the MLFF's latent space as a direct property prediction feature set. Earlier, and I had been thinking about using a VAE (or s

Using a 3DSC published superconductor dataset we fine-tuned MatterGen to enable critical temperature property conditioned generation of 'S.U.N' crystal structures.The 3DSC dataset was intentionally de

MatterGen to Tc classifier

In a simplified version of the full end-to-end pipeline, we attempt to use MatterGen, recently released by Microsoft, to generate novel materials and test them for superconductivity. Paper and repo