有没有相关的论文或文献参考？
这个数据集是基于什么背景创建的？
数据集的作者是谁？
能帮我联系到这个数据集的作者吗？
这个数据集如何下载？
Data from: Using semidefinite programming to optimize unequal deployment of genotypes to a clonal seed orchard
收藏DataONE2013-09-30 更新2024-06-27 收录
下载链接：
https://search.dataone.org/view/null
下载链接
链接失效反馈资源简介：
Tree breeders must often consider the conservation of genetic diversity, while at the same time, maximizing response to selection. In the case of seed orchards, the buyer of seed wants maximum performance, while satisfying a restriction, sometimes legislated, on the diversity deployed to the forest. Optimal selection will not completely avoid kinship but rather maximize gain while imposing a constraint on average relatedness. Here, we present the application of semidefinite programming (SDP) as a flexible approach to optimize the deployment of genotypes to a clonal seed orchard. We formulate the selection problem as an SDP, where average breeding value is to be maximized, while imposing constraints on relatedness, as well as maximum and minimum contributions from each candidate. An open-source solver, SDPA, was embedded into a tool designed to make the optimization of seed orchards by SDP simple and flexible. Case studies optimizing seed orchards for Scots pine and loblolly pine illustrate how this flexibility can be used to impose additional constraints on the scion material available from some candidate genotypes and optimize selection even when related candidates have varying degrees of coancestry among them. Additional situations where SDP can be employed are discussed.
创建时间：
2013-09-30
数据主题
5,000+
优质数据集
54 个
任务类型
进入经典数据集
热门数据集
中国区域地面气象要素驱动数据集 v2.0（1951-2024）
中国区域地面气象要素驱动数据集（China Meteorological Forcing Data，以下简称 CMFD）是为支撑中国区域陆面、水文、生态等领域研究而研发的一套高精度、高分辨率、长时间序列数据产品。本页面发布的 CMFD 2.0 包含了近地面气温、气压、比湿、全风速、向下短波辐射通量、向下长波辐射通量、降水率等气象要素，时间分辨率为 3 小时，水平空间分辨率为 0.1°，时间长度为 74 年（1951~2024 年），覆盖了 70°E~140°E，15°N~55°N 空间范围内的陆地区域。CMFD 2.0 融合了欧洲中期天气预报中心 ERA5 再分析数据与气象台站观测数据，并在辐射、降水数据产品中集成了采用人工智能技术制作的 ISCCP-ITP-CNN 和 TPHiPr 数据产品，其数据精度较 CMFD 的上一代产品有显著提升。 CMFD 历经十余年的发展，其间发布了多个重要版本。2019 年发布的 CMFD 1.6 是完全采用传统数据融合技术制作的最后一个 CMFD 版本，而本次发布的 CMFD 2.0 则是 CMFD 转向人工智能技术制作的首个版本。此版本与 1.6 版具有相同的时空分辨率和基础变量集，但在其它诸多方面存在大幅改进。除集成了采用人工智能技术制作的辐射和降水数据外，在制作 CMFD 2.0 的过程中，研发团队尽可能采用单一来源的再分析数据作为输入并引入气象台站迁址信息，显著缓解了 CMFD 1.6 中因多源数据拼接和气象台站迁址而产生的虚假气候突变。同时，CMFD 2.0 数据的时间长度从 CMFD 1.6 的 40 年大幅扩展到了 74 年，并将继续向后延伸。CMFD 2.0 的网格空间范围虽然与 CMFD 1.6 相同，但其有效数据扩展到了中国之外，能够更好地支持跨境区域研究。为方便用户使用，CMFD 2.0 还在基础变量集之外提供了若干衍生变量，包括近地面相对湿度、雨雪分离降水产品等。此外，CMFD 2.0 摒弃了 CMFD 1.6 中通过 scale_factor 和 add_offset 参数将实型数据化为整型数据的压缩技术，转而直接将实型数据压缩存储于 NetCDF4 格式文件中，从而消除了用户使用数据时进行解压换算的困扰。 本数据集原定版本号为 1.7，但鉴于本数据集从输入数据到研制技术都较上一代数据产品有了大幅的改变，故将其版本号重新定义为 2.0。
国家青藏高原科学数据中心 收录
aqcat25
<h1 align="center" style="font-size: 36px;"> <span style="color: #FFD700;">AQCat25 Dataset:</span> Unlocking spin-aware, high-fidelity machine learning potentials for heterogeneous catalysis </h1>  This repository contains the **AQCat25 dataset**. AQCat25-EV2 models can be accessed [here](https://huggingface.co/SandboxAQ/aqcat25-ev2). The AQCat25 dataset provides a large and diverse collection of **13.5 million** DFT calculation trajectories, encompassing approximately 5K materials and 47K intermediate-catalyst systems. It is designed to complement existing large-scale datasets by providing calculations at **higher fidelity** and including critical **spin-polarized** systems, which are essential for accurately modeling many industrially relevant catalysts. Please see our [website](https://www.sandboxaq.com/aqcat25) and [paper](https://cdn.prod.website-files.com/622a3cfaa89636b753810f04/68ffc1e7c907b6088573ba8c_AQCat25.pdf) for more details about the impact of the dataset and [models](https://huggingface.co/SandboxAQ/aqcat25-ev2). ## 1. AQCat25 Dataset Details This repository uses a hybrid approach, providing lightweight, queryable Parquet files for each split alongside compressed archives (`.tar.gz`) of the raw ASE database files. More details can be found below. ### Queryable Metadata (Parquet Files) A set of Parquet files provides a "table of contents" for the dataset. They can be loaded directly with the `datasets` library for fast browsing and filtering. Each file contains the following columns: | Column Name | Data Type | Description | Example | | :--- | :--- | :--- | :--- | | `frame_id` | string | **Unique ID for this dataset**. Formatted as `database_name::index`. | `data.0015.aselmdb::42` | | `adsorption_energy`| float | **Key Target**. The calculated adsorption energy in eV. | -1.542 | | `total_energy` | float | The raw total energy of the adslab system from DFT (in eV). | -567.123 | | `fmax` | float | The maximum force magnitude on any single atom in eV/Å. | 0.028 | | `is_spin_off` | boolean | `True` if the system is non-magnetic (VASP ISPIN=1). | `false` | | `mag` | float | The total magnetization of the system (µB). | 32.619 | | `slab_id` | string | Identifier for the clean slab structure. | `mp-1216478_001_2_False` | | `adsorbate` | string | SMILES or chemical formula of the adsorbate. | `*NH2N(CH3)2` | | `is_rerun` | boolean | `True` if the calculation is a continuation. | `false` | | `is_md` | boolean | `True` if the frame is from a molecular dynamics run. | `false` | | `sid` | string | The original system ID from the source data. | `vadslabboth_82` | | `fid` | integer | The original frame index (step number) from the source VASP calculation. | 0 | --- #### Understanding `frame_id` and `fid` | Field | Purpose | Example | | :--- | :--- | :--- | | `fid` | **Original Frame Index**: This is the step number from the original VASP relaxation (`ionic_steps`). It tells you where the frame came from in its source simulation. | `4` (the 5th frame of a specific VASP run) | | `frame_id` | **Unique Dataset Pointer**: This is a new ID created for this specific dataset. It tells you exactly which file (`data.0015.aselmdb`) and which row (`101`) to look in to find the full atomic structure. | `data.0015.aselmdb::101` | --- ## Downloadable Data Archives The full, raw data for each split is available for download in compressed `.tar.gz` archives. The table below provides direct download links. The queryable Parquet files for each split can be loaded directly using the `datasets` library as shown in the "Example Usage" section. The data currently available for download (totaling ~11.1M frames, as listed in the table below) is the initial dataset version (v1.0) released on September 10, 2025. The 13.5M frame count mentioned in our paper and the introduction includes additional data used to rebalance non-magnetic element systems and add a low-fidelity spin-on dataset. These new data splits will be added to this repository soon. | Split Name | Structures | Archive Size | Download Link | | :--- | :--- | :--- | :--- | | ***In-Domain (ID)*** | | | | | Train | `7,386,750` | `23.8 GB` | [`train_id.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/train_id.tar.gz) | | Validation | `254,498` | `825 MB` | [`val_id.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/val_id.tar.gz) | | Test | `260,647` | `850 MB` | [`test_id.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/test_id.tar.gz) | | Slabs | `898,530` | `2.56 GB` | [`id_slabs.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/id_slabs.tar.gz) | | ***Out-of-Distribution (OOD) Validation*** | | | | | OOD Ads (Val) | `577,368` | `1.74 GB` | [`val_ood_ads.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/val_ood_ads.tar.gz) | | OOD Materials (Val) | `317,642` | `963 MB` | [`val_ood_mat.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/val_ood_mat.tar.gz) | | OOD Both (Val) | `294,824` | `880 MB` | [`val_ood_both.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/val_ood_both.tar.gz) | | OOD Slabs (Val) | `28,971` | `83 MB` | [`val_ood_slabs.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/val_ood_slabs.tar.gz) | | ***Out-of-Distribution (OOD) Test*** | | | | | OOD Ads (Test) | `346,738` | `1.05 GB` | [`test_ood_ads.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/test_ood_ads.tar.gz) | | OOD Materials (Test) | `315,931` | `993 MB` | [`test_ood_mat.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/test_ood_mat.tar.gz) | | OOD Both (Test) | `355,504` | `1.1 GB` | [`test_ood_both.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/test_ood_both.tar.gz) | | OOD Slabs (Test) | `35,936` | `109 MB` | [`test_ood_slabs.tar.gz`](https://huggingface.co/datasets/SandboxAQ/aqcat25-dataset/resolve/main/test_ood_slabs.tar.gz) | --- ## 2. Dataset Usage Guide This guide outlines the recommended workflow for accessing and querying the AQCat25 dataset. ### 2.1 Initial Setup Before you begin, you need to install the necessary libraries and authenticate with Hugging Face. This is a one-time setup. ```bash pip install datasets pandas ase tqdm requests huggingface_hub ase-db-backends ``` **1. Create a Hugging Face Account:** If you don't have one, create an account at [huggingface.co](https://huggingface.co/join). **2. Create an Access Token:** Navigate to your **Settings -> Access Tokens** page or click [here](https://huggingface.co/settings/tokens). Create a new token with at least **`read`** permissions. Copy this token to your clipboard. **3. Log in via the Command Line:** Open your terminal and run the following command: ```bash hf auth login ``` ### 2.2 Get the Helper Scripts You may copy the scripts directly from this repository, or download them by running the following in your local python environment: ```python from huggingface_hub import snapshot_download snapshot_download( repo_id="SandboxAQ/aqcat25", repo_type="dataset", allow_patterns=["scripts/*", "README.md"], local_dir="./aqcat25" ) ``` This will create a local folder named aqcat25 containing the scripts/ directory. ### 2.3 Download Desired Dataset Splits Data splits may be downloaded directly via the Hugging Face UI, or via the `download_split.py` script (found in `aqcat25/scripts/`). ```bash python aqcat25/scripts/download_split.py --split val_id ``` This will download `val_id.tar.gz` and extract it to a new folder named `aqcat_data/val_id/`. ### 2.4 Query the Dataset Use the `query_aqcat.py` script to filter the dataset and extract the specific atomic structures you need. It first queries the metadata on the Hub and then extracts the full structures from your locally downloaded files. **Example 1: Find all CO and OH structures in the test set:** ```bash python aqcat25/scripts/query_aqcat.py \ --split test_id \ --adsorbates "*CO" "*OH" \ --data-root ./aqcat_data/test_id ``` **Example 2: Find structures on metal slabs with low adsorption energy:** ```bash python aqcat25/scripts/query_aqcat.py \ --split val_ood_both \ --max-energy -2.0 \ --material-type nonmetal \ --magnetism magnetic \ --data-root ./aqcat_data/val_ood_both \ --output-file low_energy_metals.extxyz ``` **Example 3: Find CO on slabs containing both Ni AND Se with adsorption energy between -2.5 and -1.5 eV with a miller index of 011** ```bash python aqcat25/scripts/query_aqcat.py \ --split val_ood_ads \ --adsorbates "*COCH2OH" \ --min-energy -2.5 \ --max-energy -1.5 \ --contains-elements "Ni" "Se" \ --element-filter-mode all \ --facet 011 \ --data-root ./aqcat_data/val_ood_ads \ --output-file COCH2OH_on_ni_and_se.extxyz ``` --- ## 3. How to Cite If you use the AQCat25 dataset or the models in your research, please cite the following paper: ``` Omar Allam, Brook Wander, & Aayush R. Singh. (2025). AQCat25: Unlocking spin-aware, high-fidelity machine learning potentials for heterogeneous catalysis. arXiv preprint arXiv:XXXX.XXXXX. ``` ### BibTeX Entry ```bibtex @article{allam2025aqcat25, title={{AQCat25: Unlocking spin-aware, high-fidelity machine learning potentials for heterogeneous catalysis}}, author={Allam, Omar and Wander, Brook and Singh, Aayush R}, journal={arXiv preprint arXiv:2510.22938}, year={2025}, eprint={2510.22938}, archivePrefix={arXiv}, primaryClass={cond-mat.mtrl-sci} } ```
魔搭社区 收录
THCHS-30
“THCHS30是由清华大学语音与语言技术中心（CSLT）发布的开放式汉语语音数据库。原始录音是2002年在清华大学国家重点实验室的朱晓燕教授的指导下，由王东完成的。清华大学计算机科学系智能与系统，原名“TCMSD”，意思是“清华连续普通话语音数据库”，时隔13年出版，由王东博士发起，并得到了教授的支持。朱小燕。我们希望为语音识别领域的新研究人员提供一个玩具数据库。因此，该数据库对学术用户完全免费。整个软件包包含建立中文语音识别所需的全套语音和语言资源系统。”
OpenDataLab 收录
AgiBot World
为了进一步推动通用具身智能领域研究进展，让高质量机器人数据触手可及，作为上海模塑申城语料普惠计划中的一份子，智元机器人携手上海人工智能实验室、国家地方共建人形机器人创新中心以及上海库帕思，重磅发布全球首个基于全域真实场景、全能硬件平台、全程质量把控的百万真机数据集开源项目 AgiBot World。这一里程碑式的开源项目，旨在构建国际领先的开源技术底座，标志着具身智能领域 「ImageNet 时刻」已到来。AgiBot World 是全球首个基于全域真实场景、全能硬件平台、全程质量把控的大规模机器人数据集。相比于 Google 开源的 Open X-Embodiment 数据集，AgiBot World 的长程数据规模高出 10 倍，场景范围覆盖面扩大 100 倍，数据质量从实验室级上升到工业级标准。AgiBot World 数据集收录了八十余种日常生活中的多样化技能，从抓取、放置、推、拉等基础操作，到搅拌、折叠、熨烫等精细长程、双臂协同复杂交互，几乎涵盖了日常生活所需的绝大多数动作需求。
github 收录
糖尿病预测数据集
糖尿病相关的医学研究或者健康数据
AI_Studio 收录