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🚨 发现关键词： #bypass
📦 项目名称： ALMO_EDA
👤 项目作者： htahmasbi
🛠 开发语言： Python
⭐ Star数量： 0 | 🍴 Fork数量： 0
📅 更新时间： 2026-02-04 10:01:08
📝 项目描述：
🔗 点击访问项目地址
🚨 发现关键词： #bypass
📦 项目名称： ALMO_EDA
👤 项目作者： htahmasbi
🛠 开发语言： Python
⭐ Star数量： 0 | 🍴 Fork数量： 0
📅 更新时间： 2026-02-04 10:01:08
📝 项目描述：
This repository contains a PyTorch-based neural network designed to predict electron delocalization energies of organic molecules. By leveraging chemical descriptors (SOAP) as inputs, the model bypasses computationally expensive DFT calculations to provide rapid estimates of delocalization energies.🔗 点击访问项目地址
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GitHub - htahmasbi/ALMO_EDA: This repository contains a PyTorch-based neural network designed to predict electron delocalization…
This repository contains a PyTorch-based neural network designed to predict electron delocalization energies of organic molecules. By leveraging chemical descriptors (SOAP) as inputs, the model byp...
