Datasets:
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README.md
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- name: Y
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- name: Y
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dtype:
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features:
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- name: SMILES
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dtype: string
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- name: Class
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dtype:
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- name: Our predicted class
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dtype:
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class_label:
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names:
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task_categories:
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- tabular-classification
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---
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dtype: string
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- name: SMILES
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dtype: string
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- name: Y
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dtype: int64
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description: >-
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Binary classification where 'stable' compounds were labeled as '0 and 'unstable' compounds were labeled as '1'.
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- name: train
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num_bytes: 190968
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dtype: string
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- name: SMILES
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dtype: string
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- name: Y
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dtype: int64
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description: >-
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Binary classification where 'stable' compounds were labeled as '0 and 'unstable' compounds were labeled as '1'.
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splits:
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- name: train
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num_bytes: 100608
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features:
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- name: SMILES
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dtype: string
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- name: Class
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dtype: int64
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description: >-
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Binary classification where 'stable' compounds were labeled as '0 and 'unstable' compounds were labeled as '1'.
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- name: Online server predicted class
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dtype: int64
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description: >-
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Binary classification where 'stable' compounds were labeled as '0 and 'unstable' compounds were labeled as '1'.
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- name: Our predicted class
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dtype: int64
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description: >-
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Binary classification where 'stable' compounds were labeled as '0 and 'unstable' compounds were labeled as '1'.
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task_categories:
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- tabular-classification
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---
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