jarod0411/zinc10M_linker

---
dataset_info:
features:
- name: smiles
dtype: string
- name: p1_smiles
dtype: string
- name: p2_smiles
dtype: string
- name: p1_atom
dtype: string
- name: p2_atom
dtype: string
splits:
- name: train
num_bytes: 1460441372.8248076
num_examples: 9625323
- name: validation
num_bytes: 162277642.92025834
num_examples: 1069408
download_size: 873925320
dataset_size: 1622719015.745066
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: validation
path: data/validation-*
---

This dataset contains SMILES representations of chemical molecules and related atomic information. It is divided into a training set and a validation set, with 9625323 samples in the training set and 1069408 samples in the validation set. The features of the dataset include SMILES representations of molecules and information about related atoms, all of which are string type.

原始信息汇总

数据集概述

特征信息

• smiles: 数据类型为字符串。
• p1_smiles: 数据类型为字符串。
• p2_smiles: 数据类型为字符串。
• p1_atom: 数据类型为字符串。
• p2_atom: 数据类型为字符串。

数据分割

• train:
  • 字节数: 1460441372.8248076
  • 样本数: 9625323
• validation:
  • 字节数: 162277642.92025834
  • 样本数: 1069408

数据集大小

• 下载大小: 873925320 字节
• 数据集总大小: 1622719015.745066 字节

配置信息

• 配置名称: default
  • 数据文件:
    • train: data/train-*
    • validation: data/validation-*