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brd4-smiles's Introduction

BRD4-Smiles.

The code with paper Prediction of molecular activity against BRD4 targets based on deep learning

整体框架

prediction 为预测模型代码 Smiles-miniProgram 为小程序代码 Smiles-Backend 为小程序后端代码

开始

运行小程序 进入 Smiles-Backend 运行 manage.py
预测模型 进入 Predicton 文件夹
如果是BRD4-BD1运行 torchBD1.ipynb

环境依赖

模型语言:
python 3.8
运行环境:
Jupyter
需要安装的第三方库: pytorch ,numpy, pandas

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