lhallee commited on
Commit
2624954
·
verified ·
1 Parent(s): b3425b2

Upload dataset

Browse files
README.md ADDED
@@ -0,0 +1,61 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ---
2
+ dataset_info:
3
+ features:
4
+ - name: system_id
5
+ dtype: string
6
+ - name: split
7
+ dtype: string
8
+ - name: entry_pdb_id
9
+ dtype: string
10
+ - name: entry_determination_method
11
+ dtype: string
12
+ - name: entry_resolution
13
+ dtype: float32
14
+ - name: is_experimental
15
+ dtype: bool
16
+ - name: protein_sequence
17
+ dtype: string
18
+ - name: protein_chain_id
19
+ dtype: string
20
+ - name: protein_instance_chain
21
+ dtype: string
22
+ - name: ligand_smiles
23
+ dtype: string
24
+ - name: ligand_ccd_code
25
+ dtype: string
26
+ - name: ligand_instance_chain
27
+ dtype: string
28
+ - name: ligand_is_proper
29
+ dtype: bool
30
+ - name: ligand_is_covalent
31
+ dtype: bool
32
+ - name: ligand_molecular_weight
33
+ dtype: float32
34
+ - name: system_pass_validation_criteria
35
+ dtype: bool
36
+ - name: system_num_protein_chains
37
+ dtype: int32
38
+ - name: system_num_ligand_chains
39
+ dtype: int32
40
+ splits:
41
+ - name: train
42
+ num_bytes: 75872160
43
+ num_examples: 418381
44
+ - name: valid
45
+ num_bytes: 196539
46
+ num_examples: 1157
47
+ - name: test
48
+ num_bytes: 233913
49
+ num_examples: 1436
50
+ download_size: 10189662
51
+ dataset_size: 76302612
52
+ configs:
53
+ - config_name: default
54
+ data_files:
55
+ - split: train
56
+ path: data/train-*
57
+ - split: valid
58
+ path: data/valid-*
59
+ - split: test
60
+ path: data/test-*
61
+ ---
data/test-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:50fd6e62c436405325834652599477b835f22a8babf11bffa2d5fa4c23d14245
3
+ size 67434
data/train-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:ab5ccb4550cb9cd832021dcfa24e252e8b787db2da2be3c72041769166fb6a25
3
+ size 10076797
data/valid-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:494ee68224fd5ab138740c1f987b711f042baf3e0b562f63920ae3cc38972d3a
3
+ size 45431