Takshan/ChemSpace

---
license: apache-2.0
dataset_info:
features:
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dtype: float64
- name: SELFIES
dtype: string
- name: KinScan_Score
dtype: float64
- name: Rank0
dtype: string
- name: Rank1
dtype: string
- name: Rank2
dtype: string
- name: Rank0_score
dtype: float64
- name: Rank1_score
dtype: float64
- name: Rank2_score
dtype: float64
splits:
- name: train
num_bytes: 6231366932
num_examples: 1826547
download_size: 5426188931
dataset_size: 6231366932
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---

原始信息汇总

数据集概述

数据集基本信息

• 许可证: Apache-2.0

数据集特征

数据集包含多个特征，主要分为以下几类：

化学特征

• SMILES: 字符串类型
• SELFIES: 字符串类型

数值特征

• 包括多个以“O”, “P”, “Q”开头的特征，如O00141, P00519, Q00526等，均为float64类型。

评分与排名特征

• KinScan_Score: float64类型
• Rank0, Rank1, Rank2: 字符串类型
• Rank0_score, Rank1_score, Rank2_score: float64类型

数据集分割

• 分割名称: train
• 数据大小: 6231366932字节
• 示例数量: 1826547个

数据集大小

• 下载大小: 5426188931字节
• 数据集大小: 6231366932字节