Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add herg_central_at_1uM-multimodal config via script (part 00001-of-00002)
Browse files
README.md
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@@ -1734,6 +1734,42 @@ dataset_info:
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num_examples: 93725
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download_size: 5114544670
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dataset_size: 25385089354.5
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- config_name: herg_central_inhib-multimodal
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features:
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- name: IMAGE
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@@ -3891,6 +3927,14 @@ configs:
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path: herg_central_at_10uM-multimodal/test-*
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- split: validation
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path: herg_central_at_10uM-multimodal/validation-*
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- config_name: herg_central_inhib-multimodal
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data_files:
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- split: train
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num_examples: 93725
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download_size: 5114544670
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dataset_size: 25385089354.5
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+
- config_name: herg_central_at_1uM-multimodal
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features:
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- name: IMAGE
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dtype: image
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- name: template
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dtype: string
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- name: template_original
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dtype: string
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- name: SMILES
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dtype: string
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- name: SMILES_ORIGINAL
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dtype: string
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- name: SELFIES
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dtype: string
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- name: InChI
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dtype: string
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- name: IUPAC
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dtype: string
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- name: split
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dtype: string
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- name: compound_id
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dtype: int64
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- name: herg_central_at_1uM
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dtype: float64
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splits:
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- name: train
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num_bytes: 22181560885.4
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num_examples: 1336520
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- name: test
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num_bytes: 1628833118.35
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num_examples: 99605
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- name: validation
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num_bytes: 1575907809.75
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num_examples: 93725
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+
download_size: 5115303984
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+
dataset_size: 25386301813.5
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- config_name: herg_central_inhib-multimodal
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features:
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- name: IMAGE
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path: herg_central_at_10uM-multimodal/test-*
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| 3928 |
- split: validation
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| 3929 |
path: herg_central_at_10uM-multimodal/validation-*
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| 3930 |
+
- config_name: herg_central_at_1uM-multimodal
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data_files:
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- split: train
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path: herg_central_at_1uM-multimodal/train-*
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| 3934 |
+
- split: test
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| 3935 |
+
path: herg_central_at_1uM-multimodal/test-*
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| 3936 |
+
- split: validation
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| 3937 |
+
path: herg_central_at_1uM-multimodal/validation-*
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| 3938 |
- config_name: herg_central_inhib-multimodal
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data_files:
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| 3940 |
- split: train
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herg_central_at_1uM-multimodal/validation-00001-of-00004.parquet
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version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:9f4ca9b67a14a8442fcaf084c595949c6b781e2623bac84083df42606c69ec0e
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| 3 |
+
size 82069646
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herg_central_at_1uM-multimodal/validation-00002-of-00004.parquet
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@@ -0,0 +1,3 @@
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+
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:a4153347b9aa04e5b68c4b868f6b0d6916e5318d9ba7b959fd3fccc5ff2c6bdc
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| 3 |
+
size 81164949
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herg_central_at_1uM-multimodal/validation-00003-of-00004.parquet
ADDED
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@@ -0,0 +1,3 @@
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+
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:7b7b0569e18596ab18adc52ff3221468cc2aa3212422ee0cb47b6ddc1f10e854
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| 3 |
+
size 81784210
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