AI4Chem/uspto_1k_TPL
收藏Hugging Face2024-08-21 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/AI4Chem/uspto_1k_TPL
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资源简介：
---
dataset_info:
features:
- name: 'Unnamed: 0'
dtype: int64
- name: level_0
dtype: int64
- name: index
dtype: float64
- name: original_rxn
dtype: string
- name: fragments
dtype: string
- name: source
dtype: string
- name: year
dtype: int64
- name: mapped_rxn
dtype: string
- name: confidence
dtype: float64
- name: canonical_rxn_with_fragment_info
dtype: string
- name: canonical_rxn
dtype: string
- name: ID
dtype: string
- name: reaction_hash
dtype: string
- name: reactants
dtype: string
- name: products
dtype: string
- name: retro_template
dtype: string
- name: template_hash
dtype: string
- name: selectivity
dtype: float64
- name: outcomes
dtype: float64
- name: reagents
dtype: string
- name: labels
dtype: int64
splits:
- name: train
num_bytes: 754334119
num_examples: 400604
- name: test
num_bytes: 83993127
num_examples: 44511
download_size: 363489916
dataset_size: 838327246
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: test
path: data/test-*
---
提供机构：
AI4Chem
