Ramlaoui commited on
Commit
d58332d
·
verified ·
1 Parent(s): 2ac1200

Upload dataset

Browse files
Files changed (32) hide show
  1. README.md +8 -4
  2. compatible_pbe/{train-00000-of-00019.parquet → train-00000-of-00018.parquet} +2 -2
  3. compatible_pbe/{train-00002-of-00019.parquet → train-00001-of-00018.parquet} +2 -2
  4. compatible_pbe/{train-00003-of-00019.parquet → train-00002-of-00018.parquet} +2 -2
  5. compatible_pbe/train-00003-of-00018.parquet +3 -0
  6. compatible_pbe/train-00004-of-00018.parquet +3 -0
  7. compatible_pbe/train-00004-of-00019.parquet +0 -3
  8. compatible_pbe/train-00005-of-00018.parquet +3 -0
  9. compatible_pbe/{train-00005-of-00019.parquet → train-00006-of-00018.parquet} +2 -2
  10. compatible_pbe/train-00006-of-00019.parquet +0 -3
  11. compatible_pbe/{train-00001-of-00019.parquet → train-00007-of-00018.parquet} +2 -2
  12. compatible_pbe/train-00007-of-00019.parquet +0 -3
  13. compatible_pbe/train-00008-of-00018.parquet +3 -0
  14. compatible_pbe/train-00008-of-00019.parquet +0 -3
  15. compatible_pbe/train-00009-of-00018.parquet +3 -0
  16. compatible_pbe/train-00009-of-00019.parquet +0 -3
  17. compatible_pbe/train-00010-of-00018.parquet +3 -0
  18. compatible_pbe/train-00010-of-00019.parquet +0 -3
  19. compatible_pbe/train-00011-of-00018.parquet +3 -0
  20. compatible_pbe/train-00011-of-00019.parquet +0 -3
  21. compatible_pbe/train-00012-of-00018.parquet +3 -0
  22. compatible_pbe/train-00012-of-00019.parquet +0 -3
  23. compatible_pbe/train-00013-of-00018.parquet +3 -0
  24. compatible_pbe/train-00013-of-00019.parquet +0 -3
  25. compatible_pbe/train-00014-of-00018.parquet +3 -0
  26. compatible_pbe/train-00014-of-00019.parquet +0 -3
  27. compatible_pbe/train-00015-of-00018.parquet +3 -0
  28. compatible_pbe/train-00015-of-00019.parquet +0 -3
  29. compatible_pbe/{train-00018-of-00019.parquet → train-00016-of-00018.parquet} +2 -2
  30. compatible_pbe/train-00016-of-00019.parquet +0 -3
  31. compatible_pbe/train-00017-of-00018.parquet +3 -0
  32. compatible_pbe/train-00017-of-00019.parquet +0 -3
README.md CHANGED
@@ -39,6 +39,8 @@ dataset_info:
39
  sequence: float64
40
  - name: energy
41
  dtype: float64
 
 
42
  - name: magnetic_moments
43
  sequence: float64
44
  - name: forces
@@ -46,6 +48,8 @@ dataset_info:
46
  sequence: float64
47
  - name: total_magnetization
48
  dtype: float64
 
 
49
  - name: dos_ef
50
  dtype: float64
51
  - name: functional
@@ -58,10 +62,10 @@ dataset_info:
58
  dtype: int32
59
  splits:
60
  - name: train
61
- num_bytes: 9025855882
62
- num_examples: 5721264
63
- download_size: 3188685549
64
- dataset_size: 9025855882
65
  - config_name: compatible_pbesol
66
  features:
67
  - name: elements
 
39
  sequence: float64
40
  - name: energy
41
  dtype: float64
42
+ - name: energy_corrected
43
+ dtype: float64
44
  - name: magnetic_moments
45
  sequence: float64
46
  - name: forces
 
48
  sequence: float64
49
  - name: total_magnetization
50
  dtype: float64
51
+ - name: charges
52
+ sequence: float64
53
  - name: dos_ef
54
  dtype: float64
55
  - name: functional
 
62
  dtype: int32
63
  splits:
64
  - name: train
65
+ num_bytes: 8719341729
66
+ num_examples: 5370198
67
+ download_size: 3135690268
68
+ dataset_size: 8719341729
69
  - config_name: compatible_pbesol
70
  features:
71
  - name: elements
compatible_pbe/{train-00000-of-00019.parquet → train-00000-of-00018.parquet} RENAMED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
- oid sha256:52c323e41221f0a36637434018a90e26ac36176a254c46473972829c6eaa088f
3
- size 107230599
 
1
  version https://git-lfs.github.com/spec/v1
2
+ oid sha256:08d6e233e717cddd79166ca3c4e7b191e3695ad6e62745e673ba30f97e690e57
3
+ size 139730256
compatible_pbe/{train-00002-of-00019.parquet → train-00001-of-00018.parquet} RENAMED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
- oid sha256:5aa3df9327d3e6f7aebe9a9431d573003ff29f8387af29d5abde47a06e84a610
3
- size 124464811
 
1
  version https://git-lfs.github.com/spec/v1
2
+ oid sha256:1d14267af0c48bb65c64666522edfa2836b20df3bb45564287deb9edffd78455
3
+ size 212763922
compatible_pbe/{train-00003-of-00019.parquet → train-00002-of-00018.parquet} RENAMED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
- oid sha256:9a4f72a844ff2c72007d4ddc2249ea714fe5fcb329a5a588e5553a40cfdd0cb6
3
- size 140164469
 
1
  version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4af32153e408e79def4a79c0a73d340b17836e2c65662eb2a2b0c17e25247986
3
+ size 219857368
compatible_pbe/train-00003-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:833f3101472c85a30c824bb10ce58da1f48134cd0fc1d9a56cb6f3d55f7d8d6d
3
+ size 190398849
compatible_pbe/train-00004-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:f2249fa5343d7aeae9c24508374359ad39ecd915d2efb128f8e44642fdce0d07
3
+ size 216941234
compatible_pbe/train-00004-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:35891c8eadb8a720a0804bab7b9e3d859b8bbd5b5e5e9e9f414d0b8340ad0980
3
- size 106123428
 
 
 
 
compatible_pbe/train-00005-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:6f145e10d80b745cabab11c073103dc8cfebfe2323355782ef18500e844c1e65
3
+ size 123199503
compatible_pbe/{train-00005-of-00019.parquet → train-00006-of-00018.parquet} RENAMED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
- oid sha256:537bc6746251c5056d520fcd5aaf6060da7a35a202323943fb1eed6a158bfb9b
3
- size 71874313
 
1
  version https://git-lfs.github.com/spec/v1
2
+ oid sha256:b2edcba6e83ec27860d3b4e6d8e663dbc81c17f16332824daddb724e0d8cc896
3
+ size 61645147
compatible_pbe/train-00006-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:f434f3fdb75d0c29996182f4c28d8418dc60262668cfbc3c53ea5188bb694c9a
3
- size 143063674
 
 
 
 
compatible_pbe/{train-00001-of-00019.parquet → train-00007-of-00018.parquet} RENAMED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
- oid sha256:856034a8330ffbea720a48d769a56c527431462f0683a3df00c8548f5833e9dd
3
- size 69653970
 
1
  version https://git-lfs.github.com/spec/v1
2
+ oid sha256:38ff9cec58177be645665da85c4f045eba57ba988e7cd97cae67b88cd926367c
3
+ size 68201629
compatible_pbe/train-00007-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:30008876175ee08c84a3ca1f505349742212afc870531abc7eb1cd63d653e95f
3
- size 209074318
 
 
 
 
compatible_pbe/train-00008-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:7c788741735e85be360e20ec9a471a5a4e433e4ed4073a7ce56848f193c43098
3
+ size 234573728
compatible_pbe/train-00008-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:f125c9e335c14f36345ca44039b5d217b81c1cad668560787b9d1c7c12871469
3
- size 100155876
 
 
 
 
compatible_pbe/train-00009-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d5891cb41b29fad99ba147b0565363481c7c608643ae103cdf626a22521fc42a
3
+ size 217776398
compatible_pbe/train-00009-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:a27f7a14f661626a8df30e22353bba98f4f7317b97563348ca587b63feb2b5ee
3
- size 101882918
 
 
 
 
compatible_pbe/train-00010-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ae3012a0e1f988526b864022b07a8755dedef01039f54b50610a4fff3ddffea0
3
+ size 107580144
compatible_pbe/train-00010-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:3cd02b8777d8bfc440cbb9b23d6ac38d58ba945e7088d496f6eabcf4459673be
3
- size 195242256
 
 
 
 
compatible_pbe/train-00011-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:f55d9d0afde02ad1feb327280523188023612628c56daf7996b91777e322d968
3
+ size 190385027
compatible_pbe/train-00011-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:816e83dd8a7459f55f2ccb3e57035cd2e105574223bb94e11675e3c9cc32278f
3
- size 210769202
 
 
 
 
compatible_pbe/train-00012-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:d47b7b8ab4a68ea8bbb15083b42e3705248e961e13ab13e7a6118556e3e0a2b8
3
+ size 257648949
compatible_pbe/train-00012-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:e403ac8ea874d14ec061e9d55a41d6ebdbdbf2c09dcc279acfb4a669ca7f0462
3
- size 189994639
 
 
 
 
compatible_pbe/train-00013-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3cf827f89603b3c33aaa7570c9bdcd4fe386c3492ef5fab7f3e0cfefd51903cb
3
+ size 287490821
compatible_pbe/train-00013-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:5bfea6551a630555e478513c6c66927077ab0a0fffebf067d08bed92b87af65b
3
- size 260274336
 
 
 
 
compatible_pbe/train-00014-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:35edae3166c7f8e8cc90101dd70469c33baa8f0df333a2144f3fc2542e39e594
3
+ size 279802590
compatible_pbe/train-00014-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:41fe626c8180f5c4c723342ae6b0eea8a42f97374f0b390a9a987c374998b80b
3
- size 247974257
 
 
 
 
compatible_pbe/train-00015-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:27996261c2f3ff5f41a716e3d479dd7dc40ed492608ac0b4d3f7a0f3afeea17a
3
+ size 127190969
compatible_pbe/train-00015-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:bb4fd2ff3e1b62f922937297612adc2d270f7b924d073392f04a662e022c4a35
3
- size 321522077
 
 
 
 
compatible_pbe/{train-00018-of-00019.parquet → train-00016-of-00018.parquet} RENAMED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
- oid sha256:2a570433ff1964ed3e5c48d9ecf06499f1a77a05e87062d2b05fc8177b683e87
3
- size 61297909
 
1
  version https://git-lfs.github.com/spec/v1
2
+ oid sha256:c8e0d4ecdb527d7f3f5b2bdcab7a731026592468987bd3cdb7a5e91e198acb99
3
+ size 72435483
compatible_pbe/train-00016-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:06e00af5c51c9c7d2c7a50bd5fb7f451d409ad764edff3d53ba5b46107c6110d
3
- size 229297448
 
 
 
 
compatible_pbe/train-00017-of-00018.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:055a496bc35512c2e53d1dd467adf74553cac5406aecf451a2986974d7b66bc1
3
+ size 128068251
compatible_pbe/train-00017-of-00019.parquet DELETED
@@ -1,3 +0,0 @@
1
- version https://git-lfs.github.com/spec/v1
2
- oid sha256:e1445c93aff15ba4c2bc1030ae85cf1de4c08c05d5daea8d808ceec6625d4619
3
- size 298625049