Training and evaluation data for crystal structure generation.
alex_mp20 — Alexandria MP20 subset (nmax=20)
mpts_52 — MP structures up to 52 atoms (nmax=52)
mp20 — MP20 split CSVs (note: can also be auto-downloaded from chaitjo/MP20_ADiT)
Point --data_root and --dataset_name at the relevant directory after downloading.
We have included a DNG checkpoint from our best performing configuration at best.pt.
