HSE-LAMBDA/ai4material_design
Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of defects in 2D materials. npj Comput Mater 9, 113 (2023).
Jupyter NotebookApache-2.0
Issues
- 6
Combined Dataset
#39 opened by hongshuh - 2
Relax structure data available?
#38 opened by hongshuh - 1
Multiprocessing leak
#12 opened by kazeevn - 3
Argument order for get_gemnet_predictions
#33 opened by kazeevn - 1
- 1
Extensive is actually the opposite of intensive
#31 opened by kazeevn - 1
EOS error for hBN and BP
#16 opened by kazeevn - 2
Wrong sparse representation for MoS2 and WSe2
#17 opened by kazeevn - 2
Where to put WANDB_ENTITY?
#3 opened by kazeevn - 1
Pipeline uncertanties
#6 opened by kazeevn - 1
Pipeline parallelisation between experiments
#5 opened by kazeevn - 1
Pipeline execution in slurm
#4 opened by kazeevn