Update model card
Browse files
README.md
CHANGED
|
@@ -1,43 +1,78 @@
|
|
| 1 |
---
|
| 2 |
license: apache-2.0
|
| 3 |
library_name: pytorch
|
|
|
|
|
|
|
| 4 |
tags:
|
| 5 |
-
- rna
|
| 6 |
-
-
|
| 7 |
-
-
|
| 8 |
-
- diffusion
|
| 9 |
-
-
|
| 10 |
---
|
| 11 |
-
# RIDE-RL v6f step 390
|
| 12 |
|
| 13 |
-
|
| 14 |
|
| 15 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
| 16 |
|
| 17 |
-
|
| 18 |
-
|
| 19 |
-
- `SHA256SUMS`: file checksums.
|
| 20 |
|
| 21 |
-
##
|
| 22 |
|
| 23 |
-
|
|
|
|
|
|
|
| 24 |
|
| 25 |
-
|
| 26 |
|
| 27 |
-
##
|
| 28 |
|
| 29 |
-
|
| 30 |
-
|
| 31 |
-
|
| 32 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 33 |
```
|
| 34 |
|
| 35 |
-
|
|
|
|
|
|
|
| 36 |
|
| 37 |
-
|
|
|
|
| 38 |
|
| 39 |
-
|
|
|
|
|
|
|
| 40 |
|
| 41 |
## Citation
|
| 42 |
|
| 43 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
---
|
| 2 |
license: apache-2.0
|
| 3 |
library_name: pytorch
|
| 4 |
+
datasets:
|
| 5 |
+
- Gabriel166/MORAD-data
|
| 6 |
tags:
|
| 7 |
+
- rna
|
| 8 |
+
- rna-design
|
| 9 |
+
- inverse-folding
|
| 10 |
+
- diffusion
|
| 11 |
+
- reinforcement-learning
|
| 12 |
---
|
|
|
|
| 13 |
|
| 14 |
+
# MORAD
|
| 15 |
|
| 16 |
+
Checkpoint for **MORAD: Reinforcement Learning with Multi-Objective Rewards for
|
| 17 |
+
RNA Inverse Design**: the pretrained RIDE backbone-conditioned RNA diffusion
|
| 18 |
+
model after 390 updates of online reinforcement learning with the six-component
|
| 19 |
+
MORAD reward. A single shared policy designs nucleotide sequences for any target
|
| 20 |
+
3D backbone, with no per-target optimization.
|
| 21 |
|
| 22 |
+
Code: [github.com/Gabrile166/MORAD](https://github.com/Gabrile166/MORAD) ·
|
| 23 |
+
Data: [Gabriel166/MORAD-data](https://huggingface.co/datasets/Gabriel166/MORAD-data)
|
|
|
|
| 24 |
|
| 25 |
+
## File
|
| 26 |
|
| 27 |
+
| File | Content |
|
| 28 |
+
|---|---|
|
| 29 |
+
| `policy_step000390.pt` | MORAD policy after 390 updates, `{"model": state_dict}` (10,214,213 parameters) |
|
| 30 |
|
| 31 |
+
SHA-256 checksums are listed in `SHA256SUMS`.
|
| 32 |
|
| 33 |
+
## Results on the 153 test targets
|
| 34 |
|
| 35 |
+
Structural and pairing metrics use candidate 0 of each target (structures
|
| 36 |
+
predicted with RhoFold+, pairs with EternaFold); NED is from the thermodynamic
|
| 37 |
+
evaluation (ViennaRNA).
|
| 38 |
+
|
| 39 |
+
| Model | GDT-TS ↑ | TM (C4′) ↑ | RMSD (Å) ↓ | TM (C1′) ↑ | MCC ↑ | NED ↓ |
|
| 40 |
+
|---|---:|---:|---:|---:|---:|---:|
|
| 41 |
+
| RiboDiffusion | 0.3132 | 0.2839 | 10.9215 | 0.3613 | 0.3267 | 0.6056 |
|
| 42 |
+
| gRNAde (T=0.1) | 0.3591 | 0.3179 | 8.8374 | 0.3642 | 0.6734 | 0.3458 |
|
| 43 |
+
| RDesign | 0.3291 | 0.2902 | 10.3441 | 0.3392 | 0.6566 | 0.3349 |
|
| 44 |
+
| RIDE | 0.3300 | 0.2841 | 9.7199 | 0.3538 | 0.6110 | 0.3906 |
|
| 45 |
+
| **MORAD** | **0.3827** | **0.3400** | **7.9196** | **0.3855** | **0.7295** | **0.2830** |
|
| 46 |
+
|
| 47 |
+
All tables of the paper are in the
|
| 48 |
+
[repository README](https://github.com/Gabrile166/MORAD#results).
|
| 49 |
+
|
| 50 |
+
## Usage
|
| 51 |
+
|
| 52 |
+
```bash
|
| 53 |
+
git clone https://github.com/Gabrile166/MORAD.git && cd MORAD
|
| 54 |
+
# install as described in docs/INSTALL.md, then
|
| 55 |
+
bash scripts/download_assets.sh # model weights, data and this checkpoint
|
| 56 |
+
bash scripts/evaluate_test153.sh morad # full evaluation on the 153 test targets
|
| 57 |
```
|
| 58 |
|
| 59 |
+
`download_assets.sh` stores this file as `artifacts/models/morad/morad_update390.pt`.
|
| 60 |
+
Any MORAD checkpoint can be evaluated with
|
| 61 |
+
`RIDE_CHECKPOINT=path/to/policy.pt python evaluate.py --config configs/eval/test153.yaml`.
|
| 62 |
|
| 63 |
+
```python
|
| 64 |
+
import torch
|
| 65 |
|
| 66 |
+
checkpoint = torch.load("policy_step000390.pt", map_location="cpu")
|
| 67 |
+
state_dict = checkpoint["model"] # RIDE network, defined in configs/ride_policy.yaml
|
| 68 |
+
```
|
| 69 |
|
| 70 |
## Citation
|
| 71 |
|
| 72 |
+
```bibtex
|
| 73 |
+
@misc{tang2026morad,
|
| 74 |
+
title = {{MORAD}: Reinforcement Learning with Multi-Objective Rewards for {RNA} Inverse Design},
|
| 75 |
+
author = {Tang, Jixin and Guo, Ji and Zhao, Jun},
|
| 76 |
+
year = {2026}
|
| 77 |
+
}
|
| 78 |
+
```
|