【Hackathon 10th Spring No.10】为PaddleMaterials新增ECFormer模型家族相关RFC文档#1214
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【Hackathon 10th Spring No.10】为PaddleMaterials新增ECFormer模型家族相关RFC文档#1214PlumBlossomMaid wants to merge 10 commits intoPaddlePaddle:masterfrom
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Revise font of conclusion section in README.md
Removed the development mode section from the README.
Remove duplicate references and update list
Fix references
原计划自定义实现Transformer，后来发现paddle框架原生Transformer是可以实现在float64下的精度对齐的，于是改用为paddle原生Transformer。同时优化了一下文档
由于底层已经更换为paddle框架原生实现的Transformer，所以移除Transformer的自定义实现。
This was referenced Feb 24, 2026
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leeleolay
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辛苦评估下是否可以使用套件内已有功能，有些工具类的可以放在utils里
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由于我本人最近学业稍微紧张了一些，所以并没有太多时间使RFC与代码保持同步。目前代码仍旧处于高频修改阶段，而RFC只和最最最原始的代码是对齐的，所以恳请去看代码PR中的结构~~ @leeleolay 目前reviewer指出的这个目录已经被我重构并放入ppmat的utils目录下了。个别套件内已有的功能已经进行了复用，其余的特有的工具均已按照要求放入utils目录中。 等代码结构稳定了，我会对此RFC进行及时的更新。(*￣︶￣) |
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为PaddleMaterials新增ECFormer模型家族相关RFC文档
📌 概述
本PR为PaddleMaterials项目新增ECFormer模型家族（原ECDFormer，Nature Computational Science 2025）的完整RFC设计文档。ECFormer是一个用于谱图预测的Transformer-GNN混合架构，支持ECD（电子圆二色谱）和IR（红外光谱）预测任务。
📚 新增文档列表
1. 项目总览
rfcs/PaddleMaterials/README.md：ECFormer项目整体设计哲学、架构决策、与PaddleMaterials的集成方式2. 模型层设计
rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Models/ECFormers.md](rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Models/ECFormers.md)：ECFormerBase基类、ECFormerECD、ECFormerIR的高层API设计rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Models/Layers.md](rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Models/Layers.md)：底层组件（GINConv、AtomEncoder等）的设计说明3. 数据集设计
rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Dataset/README.md](rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Dataset/README.md)：数据集模块“模块自治”设计哲学总览rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Dataset/ECDFormerDataset.md](rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Dataset/ECDFormerDataset.md)：ECDFormerDataset（ECD光谱）详细设计rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Dataset/IRDataset.md](rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Dataset/IRDataset.md)：IRDataset（IR光谱）详细设计4. 训练流程设计
rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Train/README.md](rfcs/PaddleMaterials/【Hackathon 10th Spring No.10】ECDFormer模型复现/Train/README.md)：独立训练脚本设计说明🎯 设计核心亮点
🔗 相关链接
✅ 自测情况