Preview

gnn_counterexamples
- gcnn_degeneracies
  - 2_body_gnn_can_compute_angles.ipynb
    
    29.1 kB
  - README.md
    
    1.1 kB
  - data
    - README.md
      
      919 Bytes
    - mbpol-dimer-b3lyp_ccpvtz-fps.xyz
      
      7.4 MB
    - mbpol-trimer-b3lyp_ccpvtz-fps.xyz
      
      5.3 MB
    - nmers.db
      
      11.4 MB
    - selected-structures.xyz
      
      7.4 kB
    - tetramers-b3lyp_ccpvtz-fps.xyz
      
      2.8 MB
  - examples
    - c2h4-struc-low-HCH-b3lyp_ccpvtz.xyz
      
      2.3 kB
    - carbon-selected-lda_gth-szv.xyz
      
      2.3 kB
  - gap-lc.py
    
    7.7 kB
  - spk_eval.py
    
    995 Bytes
  - wltest.py
    
    2.4 kB