---
title: dynamicPDB_complete
canonical_url: "https://www.modelscope.cn/datasets/fudan-generative-vision/dynamicPDB_complete"
md_url: "https://www.modelscope.cn/datasets/fudan-generative-vision/dynamicPDB_complete.md"
repository: fudan-generative-vision/dynamicPDB_complete
last_updated: 2026-05-07
license: CC-BY-4.0
storage_size: "6.8 TB"
downloads: 9334
stars: 1
---

# dynamicPDB_complete

> dynamicPDB_complete - fudan-generative-vision 在 ModelScope 开源的数据集。1. Make sure you have Git LFS installed:

fudan-generative-vision/dynamicPDB_complete 是 ModelScope 魔搭社区上的数据集，存储大小 6.8 TB，采用 CC-BY-4.0 许可。

- **Repository**: fudan-generative-vision/dynamicPDB_complete
- **License**: CC-BY-4.0
- **Storage size**: 6.8 TB
- **Downloads**: 9334
- **Stars**: 1
- **Last updated**: 2026-05-07

Source: https://www.modelscope.cn/datasets/fudan-generative-vision/dynamicPDB_complete

---

## Data Usage

1. Make sure you have Git LFS installed:
```shell
sudo apt-get install git-lfs
# Initialize Git LFS
git lfs install
```

2. Navigate to your `DATA_ROOT` and clone the source:

```shell
GIT_LFS_SKIP_SMUDGE=1 git clone https://www.modelscope.cn/datasets/fudan-generative-vision/dynamicPDB_complete.git dynamicPDB_complete_raw
```
`GIT_LFS_SKIP_SMUDGE=1` configures Git to clone the pointers for all LFS files.

3. Download data with a specific `protein_id`, for example `1ab1_A`:

```shell
cd dynamicPDB_complete_raw
git lfs pull --include="{protein_id}/*"
```

4. Merge the split-volume compression into one file and then unzip the `.tar.gz` file:

```shell
cat {protein_id}/{protein_id}.tar.gz.part* > {protein_id}/{protein_id}.tar.gz
cd ${Your Storage Root}
mkdir dynamicPDB_complete  # ignore if directory exists
tar -xvzf dynamicPDB_complete_raw/{protein_id}/{protein_id}.tar.gz -C dynamicPDB_complete
```

Finally, the dataset should be organized as follows:

```text
./dynamicPDB_complete/
|-- 1ab1_A_npt1000000.0_ts0.001
|   |-- 1ab1_A_npt_sim_data
|   |   |-- 1ab1_A_npt_sim_0.dat
|   |   `-- ...
|   |-- 1ab1_A.pdb
|   |-- 1ab1_A_minimized.pdb
|   |-- 1ab1_A_nvt_equi.dat
|   |-- 1ab1_A_npt_equi.dat
|   |-- 1ab1_A_T.dcd
|   |-- 1ab1_A_T.pkl
|   |-- 1ab1_A_F.pkl
|   |-- 1ab1_A_V.pkl
|   `-- 1ab1_A_state_npt1000000.0.xml
|-- 1d3y_B_npt1000000.0_ts0.001
|   |-- ...
|   `-- ...
`-- ...
```