File size: 1,837 Bytes
b061fd7 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 | ---
license: mit
task_categories:
- tabular-classification
- text-generation
pretty_name: MOFFlow-2 Preprocessed Data
---
# MOFFlow-2 Preprocessed Dataset
Preprocessed data artifacts for **MOFFlow-2** tasks:
- Structure prediction (`csp`)
- Generation (`gen`)
Included assets: LMDB datasets, sequence data (`mof_sequence_*.json`), split files, and metal library (`metal_lib_train.pkl`).
Project repo: https://github.com/nayoung10/MOFFlow-2
## Files
- `lmdb/csp/train.tar.gz`
- `lmdb/csp/val.tar.gz`
- `lmdb/csp/test.tar.gz`
- `lmdb/gen/train.tar.gz`
- `lmdb/gen/val.tar.gz`
- `seqs/seqs_data.tar.gz`
- `splits.tar.gz`
- `metals/metal_lib_train.pkl`
- `SHA256SUMS`
## Quick Start (download + verify + extract)
```bash
# Download all files from this dataset repo
hf download lkny123/mofflow2-data --repo-type dataset --local-dir .
# Verify integrity
sha256sum -c SHA256SUMS
```
Extract into MOFFlow-2 project layout (`$PROJECT_ROOT/data`):
```bash
# Example assumes you are in your MOFFlow-2 root
mkdir -p data/lmdb/csp data/lmdb/gen data/seqs data/splits data/metals/gen
tar -xzf lmdb/csp/train.tar.gz -C data/lmdb/csp
tar -xzf lmdb/csp/val.tar.gz -C data/lmdb/csp
tar -xzf lmdb/csp/test.tar.gz -C data/lmdb/csp
tar -xzf lmdb/gen/train.tar.gz -C data/lmdb/gen
tar -xzf lmdb/gen/val.tar.gz -C data/lmdb/gen
tar -xzf seqs/seqs_data.tar.gz -C data
cp seqs/vocab.json data/seqs/vocab.json
tar -xzf splits.tar.gz -C data
cp metals/metal_lib_train.pkl data/metals/gen/metal_lib_train.pkl
```
Expected result:
- `data/lmdb/csp/MetalOxo_final_{train,val,test}.lmdb`
- `data/lmdb/gen/MetalOxo_final_{train,val}.lmdb`
- `data/seqs/mof_sequence_{train,val}.json`, `data/seqs/vocab.json`
- `data/splits/...`
- `data/metals/gen/metal_lib_train.pkl`
## Citation
If you use this dataset, please cite the MOFFlow-2 paper and repository.
|