Upload dataset
Browse files- README.md +35 -0
- data/train-00000-of-00001.parquet +3 -0
README.md
ADDED
|
@@ -0,0 +1,35 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
---
|
| 2 |
+
dataset_info:
|
| 3 |
+
features:
|
| 4 |
+
- name: Compound ID
|
| 5 |
+
dtype: string
|
| 6 |
+
- name: ESOL predicted log solubility in mols per litre
|
| 7 |
+
dtype: float64
|
| 8 |
+
- name: Minimum Degree
|
| 9 |
+
dtype: int64
|
| 10 |
+
- name: Molecular Weight
|
| 11 |
+
dtype: float64
|
| 12 |
+
- name: Number of H-Bond Donors
|
| 13 |
+
dtype: int64
|
| 14 |
+
- name: Number of Rings
|
| 15 |
+
dtype: int64
|
| 16 |
+
- name: Number of Rotatable Bonds
|
| 17 |
+
dtype: int64
|
| 18 |
+
- name: Polar Surface Area
|
| 19 |
+
dtype: float64
|
| 20 |
+
- name: measured log solubility in mols per litre
|
| 21 |
+
dtype: float64
|
| 22 |
+
- name: smiles
|
| 23 |
+
dtype: string
|
| 24 |
+
splits:
|
| 25 |
+
- name: train
|
| 26 |
+
num_bytes: 122012
|
| 27 |
+
num_examples: 1128
|
| 28 |
+
download_size: 62967
|
| 29 |
+
dataset_size: 122012
|
| 30 |
+
configs:
|
| 31 |
+
- config_name: default
|
| 32 |
+
data_files:
|
| 33 |
+
- split: train
|
| 34 |
+
path: data/train-*
|
| 35 |
+
---
|
data/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:0130069c759eb614e28c63b2a99fd3fa37de94c76108fd279788902ab76bc09b
|
| 3 |
+
size 62967
|