Upload dataset
Browse files- README.md +26 -0
- data/test-00000-of-00001.parquet +3 -0
- data/train-00000-of-00001.parquet +3 -0
README.md
CHANGED
|
@@ -1,3 +1,29 @@
|
|
| 1 |
---
|
| 2 |
license: apache-2.0
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 3 |
---
|
|
|
|
| 1 |
---
|
| 2 |
license: apache-2.0
|
| 3 |
+
dataset_info:
|
| 4 |
+
features:
|
| 5 |
+
- name: Smiles
|
| 6 |
+
dtype: string
|
| 7 |
+
- name: DockingScore
|
| 8 |
+
dtype: float64
|
| 9 |
+
- name: dG
|
| 10 |
+
dtype: float64
|
| 11 |
+
- name: dGError
|
| 12 |
+
dtype: float64
|
| 13 |
+
splits:
|
| 14 |
+
- name: train
|
| 15 |
+
num_bytes: 641714
|
| 16 |
+
num_examples: 8997
|
| 17 |
+
- name: test
|
| 18 |
+
num_bytes: 71163
|
| 19 |
+
num_examples: 1000
|
| 20 |
+
download_size: 315048
|
| 21 |
+
dataset_size: 712877
|
| 22 |
+
configs:
|
| 23 |
+
- config_name: default
|
| 24 |
+
data_files:
|
| 25 |
+
- split: train
|
| 26 |
+
path: data/train-*
|
| 27 |
+
- split: test
|
| 28 |
+
path: data/test-*
|
| 29 |
---
|
data/test-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2850cf8305d520cc7f56777a6f9b25135800a0ab48995a971864c8b4ac8e2433
|
| 3 |
+
size 32606
|
data/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:28b48b6c8e2bb165aaae49bafac2d1f0b990667831eafd73547a81dd901c0af2
|
| 3 |
+
size 282442
|