Ramlaoui commited on
Commit
d82cf99
·
verified ·
1 Parent(s): 71266eb

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +19 -3
README.md CHANGED
@@ -302,11 +302,27 @@ To better support the diverse communities that may utilize this dataset, we are
302
  - **Compatible, PBE (default)**: This subset includes rows filtered to ensure cross-compatibility from a DFT perspective. For details on the filtering methodology, see the section below. Only PBE records are included. We designate this as the default subset to prevent accidental training of models on non-compatible data.
303
  - **All**: This includes all records formatted as described above. **Disclaimer**: Researchers must carefully evaluate the suitability of individual rows for their specific applications.
304
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
305
 
306
- | **Database** | **Number of materials** | **Number of structures*** |
 
307
  | --- | --- | --- |
308
- | Materials Project | 178,627 | 3,019,141 |
309
- | Alexandria | 3,281,593 | 108,432,649 |
310
 
311
 
312
  ## Method for compatibility compliance
 
302
  - **Compatible, PBE (default)**: This subset includes rows filtered to ensure cross-compatibility from a DFT perspective. For details on the filtering methodology, see the section below. Only PBE records are included. We designate this as the default subset to prevent accidental training of models on non-compatible data.
303
  - **All**: This includes all records formatted as described above. **Disclaimer**: Researchers must carefully evaluate the suitability of individual rows for their specific applications.
304
 
305
+ ### `compatible_pbe`
306
+ | **Database** | **Number of trajectories** | **Number of structures*** |
307
+ | --- | --- | --- |
308
+ | Materials Project | 46,632 | 725,048 |
309
+ | Alexandria | 2,613,109 | 114,629,913 |
310
+ | OQMD | 995,013 | 432,139
311
+
312
+ ### `compatible_pbesol`
313
+ | **Database** | **Number of trajectories** | **Number of structures*** |
314
+ | --- | --- | --- |
315
+ | Alexandria | 205,837 | 5,276,643 |
316
+
317
+ ### `compatible_scan`
318
+ | **Database** | **Number of trajectories** | **Number of structures*** |
319
+ | --- | --- | --- |
320
+ | Materials Project | 5,640 | 155,923 |
321
 
322
+ ### `non_compatible`
323
+ | **Database** | **Number of trajectories** | **Number of structures*** |
324
  | --- | --- | --- |
325
+ | OQMD | 181,237 | 412,623 |
 
326
 
327
 
328
  ## Method for compatibility compliance