Upload dataset
Browse files- README.md +28 -0
- chirality/train-00000-of-00001.parquet +3 -0
README.md
CHANGED
|
@@ -1,3 +1,31 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
# 3DCS Datasets
|
| 2 |
|
| 3 |
This repository hosts multiple 3DCS datasets under separate configs.
|
|
|
|
| 1 |
+
---
|
| 2 |
+
dataset_info:
|
| 3 |
+
config_name: chirality
|
| 4 |
+
features:
|
| 5 |
+
- name: key
|
| 6 |
+
dtype: string
|
| 7 |
+
- name: mol_id
|
| 8 |
+
dtype: string
|
| 9 |
+
- name: en_id
|
| 10 |
+
dtype: string
|
| 11 |
+
- name: n_conformers
|
| 12 |
+
dtype: int64
|
| 13 |
+
- name: offset
|
| 14 |
+
dtype: int64
|
| 15 |
+
- name: mol_blocks
|
| 16 |
+
list: string
|
| 17 |
+
splits:
|
| 18 |
+
- name: train
|
| 19 |
+
num_bytes: 333811320
|
| 20 |
+
num_examples: 14903
|
| 21 |
+
download_size: 96007912
|
| 22 |
+
dataset_size: 333811320
|
| 23 |
+
configs:
|
| 24 |
+
- config_name: chirality
|
| 25 |
+
data_files:
|
| 26 |
+
- split: train
|
| 27 |
+
path: chirality/train-*
|
| 28 |
+
---
|
| 29 |
# 3DCS Datasets
|
| 30 |
|
| 31 |
This repository hosts multiple 3DCS datasets under separate configs.
|
chirality/train-00000-of-00001.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:bc805c523bbb96ed018c8dc859d190caf2730b5137dbe8f40bbce35aee7e44ee
|
| 3 |
+
size 96007912
|