Upload dataset
Browse files
README.md
ADDED
|
@@ -0,0 +1,46 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
---
|
| 2 |
+
dataset_info:
|
| 3 |
+
config_name: ml_ready
|
| 4 |
+
features:
|
| 5 |
+
- name: Filename
|
| 6 |
+
dtype: string
|
| 7 |
+
- name: SMILES
|
| 8 |
+
dtype: string
|
| 9 |
+
- name: Page_in_file_mol
|
| 10 |
+
dtype: float64
|
| 11 |
+
- name: Page_in_file_para
|
| 12 |
+
dtype: int64
|
| 13 |
+
- name: Location_in_page_mol
|
| 14 |
+
dtype: string
|
| 15 |
+
- name: Location_in_page_para
|
| 16 |
+
dtype: string
|
| 17 |
+
- name: NMR_type
|
| 18 |
+
dtype: string
|
| 19 |
+
- name: NMR_frequency
|
| 20 |
+
dtype: string
|
| 21 |
+
- name: NMR_solvent
|
| 22 |
+
dtype: string
|
| 23 |
+
- name: NMR_shift_text
|
| 24 |
+
dtype: string
|
| 25 |
+
- name: NMR_note
|
| 26 |
+
dtype: string
|
| 27 |
+
- name: NMR_processed
|
| 28 |
+
dtype: string
|
| 29 |
+
- name: Atom_number
|
| 30 |
+
dtype: int64
|
| 31 |
+
- name: Atom_number_diff_env
|
| 32 |
+
dtype: int64
|
| 33 |
+
- name: Atom_number_abstract
|
| 34 |
+
dtype: float64
|
| 35 |
+
splits:
|
| 36 |
+
- name: train
|
| 37 |
+
num_bytes: 1863153549
|
| 38 |
+
num_examples: 2853590
|
| 39 |
+
download_size: 524596502
|
| 40 |
+
dataset_size: 1863153549
|
| 41 |
+
configs:
|
| 42 |
+
- config_name: ml_ready
|
| 43 |
+
data_files:
|
| 44 |
+
- split: train
|
| 45 |
+
path: ml_ready/train-*
|
| 46 |
+
---
|
ml_ready/train-00000-of-00004.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:affbde5ed0484abc8dc8455330cb8021dd3f5ce78be8ac349a2a3d9ef701a142
|
| 3 |
+
size 131592945
|
ml_ready/train-00001-of-00004.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:a097d99af015eb8a6289ff7e38be18dddda2c7f87b420b927efbbe5c662c27b7
|
| 3 |
+
size 130908911
|
ml_ready/train-00002-of-00004.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4f6da8ec3b66e07e66c17ec27ac279fd1d276428c81e67ed6b549f7142c96dcb
|
| 3 |
+
size 130858355
|
ml_ready/train-00003-of-00004.parquet
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:fd6748e353547af3fc459c87a78e1b656f2f4b7c657f2f7c1e92d650ae025b3a
|
| 3 |
+
size 131236291
|