【Hackathon 10th Spring No.10】ECDFormer模型复现任务#245
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PlumBlossomMaid wants to merge 12 commits intoPaddlePaddle:developfrom
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【Hackathon 10th Spring No.10】ECDFormer模型复现任务#245PlumBlossomMaid wants to merge 12 commits intoPaddlePaddle:developfrom
PlumBlossomMaid wants to merge 12 commits intoPaddlePaddle:developfrom
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5 tasks
Removed duplicate import of OMol25Dataset.
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@PlumBlossomMaid 感谢您的代码贡献，有如下合入规范的建议辛苦参考：辛苦将本PR和PR-246合并为一个，代码注释修改为英文，并在每个文件前添加Paddle权利声明，数据集的加载辛苦使用build的工厂函数方式，utils里面的内容可以提取到model外ppmat里相应的部分，在spectrunm elucidation里面的readme添加模型说明，并且添加模型readme页面并且声明模型复现效果，辛苦提供数据集链接和预训练模型权重log文件 |
…d/PaddleMaterials into ECFormer-Model 官方让我这么干的
…addleMaterials into ECFormer-Model 同步当前代码
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添加模型复现精度说明，并且补充readme文档，可以参考其他任务里的模型的情况。loss和metric的部分可以移动到ppmat下的公共模块部分
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| ECDFormer数据集加载模块 |
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好的好的～近几天较忙，所有review中的要求我会依次进行～
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请参考其他dataset的实现逻辑和方式，目前已经构建了一套数据集的初始化和加载逻辑，请按照套件已有的逻辑
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https://paddle-org.bj.bcebos.com/paddlematerials/datasets/IR/IR.tar.gz 请参考这个链接 @PlumBlossomMaid |
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📌 项目介绍
本PR是ECDFormer模型复现任务的核心代码合入申请。ECDFormer（Nature Computational Science 2025）通过“解耦峰属性学习”实现高效、可解释的ECD/IR光谱预测。
目前已根据第一次Review意见完成PR合并和版权声明添加，现根据第二次Review意见整理待办清单如下。
✅ 工作进展
已完成
进行中
utils/loss/下的损失函数移至ppmat/models/losses/公共模块ppmat/utils/公共目录build_spectrum的实现方式，重构数据集加载逻辑spectrum_elucidation\ECFormer目录下补充适用于ECFormer的训练与推理脚本.py文件的注释、docstring修改为英文spectrum_elucidation/README.md添加ECFormer系列模型说明spectrum_elucidation/ECFormer/README.md，包含模型说明、复现精度🔗 相关链接