jaclark5 commited on
Commit
50d417e
·
verified ·
1 Parent(s): 01730fb

Upload dataset

Browse files
README.md CHANGED
@@ -13,12 +13,32 @@ tags:
13
  - valence
14
  - chemistry
15
  configs:
 
 
 
 
16
  - config_name: metadata
17
  data_files:
18
  - split: train
19
  path: metadata/train-*
20
  dataset_info:
21
- config_name: metadata
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
22
  features:
23
  - name: OMol25_data_id
24
  dtype: string
 
13
  - valence
14
  - chemistry
15
  configs:
16
+ - config_name: descent_data
17
+ data_files:
18
+ - split: train
19
+ path: descent_data/train-*
20
  - config_name: metadata
21
  data_files:
22
  - split: train
23
  path: metadata/train-*
24
  dataset_info:
25
+ - config_name: descent_data
26
+ features:
27
+ - name: smiles
28
+ dtype: string
29
+ - name: coords
30
+ list: float32
31
+ - name: energy
32
+ list: float32
33
+ - name: forces
34
+ list: float32
35
+ splits:
36
+ - name: train
37
+ num_bytes: 2168837221
38
+ num_examples: 1956538
39
+ download_size: 2515274513
40
+ dataset_size: 2168837221
41
+ - config_name: metadata
42
  features:
43
  - name: OMol25_data_id
44
  dtype: string
descent_data/train-00000-of-00005.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:3cf5937203899d262be10e11ad61eab0b1fe7af5dcf11e3a0731f8a4b8855d82
3
+ size 508077588
descent_data/train-00001-of-00005.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:78c9eca5ec04bea87b0a3afd1f7fb07058adc54d451ab074319989d250883631
3
+ size 496523363
descent_data/train-00002-of-00005.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4363cc88f9cdbe5ac63c6fa7a2c66543f1c19fbd0e0d793f9cce0acb0142dfcd
3
+ size 508577379
descent_data/train-00003-of-00005.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:4b824c4fc146791fcaaf7773c7e5cfbc99b505066c20d9d4a9f54199f5f3b4cc
3
+ size 494914167
descent_data/train-00004-of-00005.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:2e587dcfb707c0e4da052b9640ffca1abfc542efceec2915809298f557e2a360
3
+ size 507182016