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主要存储Datawhale组队学习中“数据挖掘/机器学习”方向的资料。
Use ChatGPT to summarize the arXiv papers. 全流程加速科研,利用chatgpt进行论文全文总结+专业翻译+润色+审稿+审稿回复
Corresponding dataset and tools for the AdsorbML manuscript.
Code to compute permutation and drop-column importances in Python scikit-learn models
This project reproduces the book Dive Into Deep Learning (https://d2l.ai/), adapting the code from MXNet into PyTorch.
《Hello 算法》:动画图解、一键运行的数据结构与算法教程。支持 Python, Java, C++, C, C#, JS, Go, Swift, Rust, Ruby, Kotlin, TS, Dart 代码。简体版和繁体版同步更新,English version ongoing
SchNet - a deep learning architecture for quantum chemistry
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
SchNetPack - Deep Neural Networks for Atomistic Systems