Upload dataset
Browse files- README.md +24 -24
- data/test-00000-of-00001.parquet +2 -2
- data/train-00000-of-00001.parquet +2 -2
- data/val-00000-of-00001.parquet +2 -2
README.md
CHANGED
@@ -7,43 +7,43 @@ dataset_info:
|
|
7 |
- name: atomic_numbers
|
8 |
sequence: int64
|
9 |
- name: mu
|
10 |
-
dtype:
|
11 |
- name: alpha
|
12 |
-
dtype:
|
13 |
- name: eps_HOMO
|
14 |
-
dtype:
|
15 |
- name: eps_LUMO
|
16 |
-
dtype:
|
17 |
- name: delta_eps
|
18 |
-
dtype:
|
19 |
- name: R_2_Abs
|
20 |
-
dtype:
|
21 |
- name: ZPVE
|
22 |
-
dtype:
|
23 |
- name: U_0
|
24 |
-
dtype:
|
25 |
- name: U
|
26 |
-
dtype:
|
27 |
- name: H
|
28 |
-
dtype:
|
29 |
- name: G
|
30 |
-
dtype:
|
31 |
- name: c_v
|
32 |
-
dtype:
|
33 |
- name: U_0_ATOM
|
34 |
-
dtype:
|
35 |
- name: U_ATOM
|
36 |
-
dtype:
|
37 |
- name: H_ATOM
|
38 |
-
dtype:
|
39 |
- name: G_ATOM
|
40 |
-
dtype:
|
41 |
- name: A
|
42 |
-
dtype:
|
43 |
- name: B
|
44 |
-
dtype:
|
45 |
- name: C
|
46 |
-
dtype:
|
47 |
- name: tags
|
48 |
sequence: int64
|
49 |
- name: natoms
|
@@ -54,16 +54,16 @@ dataset_info:
|
|
54 |
sequence: int64
|
55 |
splits:
|
56 |
- name: train
|
57 |
-
num_bytes:
|
58 |
num_examples: 110831
|
59 |
- name: val
|
60 |
-
num_bytes:
|
61 |
num_examples: 10000
|
62 |
- name: test
|
63 |
-
num_bytes:
|
64 |
num_examples: 10000
|
65 |
-
download_size:
|
66 |
-
dataset_size:
|
67 |
configs:
|
68 |
- config_name: default
|
69 |
data_files:
|
|
|
7 |
- name: atomic_numbers
|
8 |
sequence: int64
|
9 |
- name: mu
|
10 |
+
dtype: float32
|
11 |
- name: alpha
|
12 |
+
dtype: float32
|
13 |
- name: eps_HOMO
|
14 |
+
dtype: float32
|
15 |
- name: eps_LUMO
|
16 |
+
dtype: float32
|
17 |
- name: delta_eps
|
18 |
+
dtype: float32
|
19 |
- name: R_2_Abs
|
20 |
+
dtype: float32
|
21 |
- name: ZPVE
|
22 |
+
dtype: float32
|
23 |
- name: U_0
|
24 |
+
dtype: float32
|
25 |
- name: U
|
26 |
+
dtype: float32
|
27 |
- name: H
|
28 |
+
dtype: float32
|
29 |
- name: G
|
30 |
+
dtype: float32
|
31 |
- name: c_v
|
32 |
+
dtype: float32
|
33 |
- name: U_0_ATOM
|
34 |
+
dtype: float32
|
35 |
- name: U_ATOM
|
36 |
+
dtype: float32
|
37 |
- name: H_ATOM
|
38 |
+
dtype: float32
|
39 |
- name: G_ATOM
|
40 |
+
dtype: float32
|
41 |
- name: A
|
42 |
+
dtype: float32
|
43 |
- name: B
|
44 |
+
dtype: float32
|
45 |
- name: C
|
46 |
+
dtype: float32
|
47 |
- name: tags
|
48 |
sequence: int64
|
49 |
- name: natoms
|
|
|
54 |
sequence: int64
|
55 |
splits:
|
56 |
- name: train
|
57 |
+
num_bytes: 182603296
|
58 |
num_examples: 110831
|
59 |
- name: val
|
60 |
+
num_bytes: 16467028
|
61 |
num_examples: 10000
|
62 |
- name: test
|
63 |
+
num_bytes: 16444596
|
64 |
num_examples: 10000
|
65 |
+
download_size: 48643213
|
66 |
+
dataset_size: 215514920
|
67 |
configs:
|
68 |
- config_name: default
|
69 |
data_files:
|
data/test-00000-of-00001.parquet
CHANGED
@@ -1,3 +1,3 @@
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
-
oid sha256:
|
3 |
-
size
|
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:06723679c7d11a37d19b6cbdceee22dcf3d9da4e7a9fcc82bed6f5e16b9f842d
|
3 |
+
size 3711167
|
data/train-00000-of-00001.parquet
CHANGED
@@ -1,3 +1,3 @@
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
-
oid sha256:
|
3 |
-
size
|
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:3d225048b041623018ae1b7eb3002b5c8a74de63ce50c511a537275d7264c28d
|
3 |
+
size 41211057
|
data/val-00000-of-00001.parquet
CHANGED
@@ -1,3 +1,3 @@
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
-
oid sha256:
|
3 |
-
size
|
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:0c898349259dc07db6d065c9dc6c4a8e14adf4a9830da6b6a99ed6a83a500ca6
|
3 |
+
size 3720989
|