Datasets:
Add model card
Browse files
README.md
ADDED
|
@@ -0,0 +1,50 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
---
|
| 2 |
+
license: apache-2.0
|
| 3 |
+
task_categories:
|
| 4 |
+
- graph-ml
|
| 5 |
+
tags:
|
| 6 |
+
- biology
|
| 7 |
+
- protein
|
| 8 |
+
- molecule
|
| 9 |
+
- dna
|
| 10 |
+
- rna
|
| 11 |
+
- pretraining
|
| 12 |
+
---
|
| 13 |
+
|
| 14 |
+
# Cuttlefish-Encoder-Data
|
| 15 |
+
|
| 16 |
+
Encoder pretraining dataset for [Cuttlefish-Encoder](https://huggingface.co/zihaojing/Cuttlefish-Encoder). Contains all-atom structural graphs for molecules, proteins, DNA, and RNA in a unified parquet format.
|
| 17 |
+
|
| 18 |
+
## Dataset structure
|
| 19 |
+
|
| 20 |
+
```
|
| 21 |
+
molecules/ # molecule encoder training data
|
| 22 |
+
nacid/ # DNA and RNA encoder training data
|
| 23 |
+
protein/ # protein encoder training data (PDB structures)
|
| 24 |
+
test/ # held-out test samples
|
| 25 |
+
```
|
| 26 |
+
|
| 27 |
+
## Schema
|
| 28 |
+
|
| 29 |
+
| Field | Description |
|
| 30 |
+
|---|---|
|
| 31 |
+
| `modality` | `"molecule"`, `"protein"`, `"dna"`, or `"rna"` |
|
| 32 |
+
| `node_feat` | Atom/node features (N × d) |
|
| 33 |
+
| `pos` | 3D coordinates in Å (N × 3) |
|
| 34 |
+
| `edge_index` | Spatial graph edges in COO (2 × E) |
|
| 35 |
+
| `edge_feat_dist` | Edge distances (E × 1, optional) |
|
| 36 |
+
|
| 37 |
+
## Usage
|
| 38 |
+
|
| 39 |
+
```python
|
| 40 |
+
from datasets import load_dataset
|
| 41 |
+
ds = load_dataset("zihaojing/Cuttlefish-Encoder-Data")
|
| 42 |
+
```
|
| 43 |
+
|
| 44 |
+
## Related resources
|
| 45 |
+
|
| 46 |
+
| Resource | Link |
|
| 47 |
+
|---|---|
|
| 48 |
+
| Cuttlefish LLM | [zihaojing/Cuttlefish](https://huggingface.co/zihaojing/Cuttlefish) |
|
| 49 |
+
| Cuttlefish-Encoder | [zihaojing/Cuttlefish-Encoder](https://huggingface.co/zihaojing/Cuttlefish-Encoder) |
|
| 50 |
+
| SFT instruction data | [zihaojing/Cuttlefish-SFT-Data](https://huggingface.co/datasets/zihaojing/Cuttlefish-SFT-Data) |
|