boltzgen / README.md
moritztng's picture
Upload README.md with huggingface_hub
e1c91f4 verified
|
Raw
History Blame Contribute Delete
2.16 kB
---
license: mit
library_name: tt-bio
tags:
- biology
- protein-design
- binder-design
- inverse-folding
- boltzgen
- tenstorrent
---
# BoltzGen weights (tt-bio mirror)
Mirror of the [BoltzGen](https://github.com/HannesStark/boltzgen) binder-design
weights (plus the Boltz-2 folding/affinity checkpoints the design pipeline
depends on), packaged for use with
[tt-bio](https://github.com/moritztng/tt-bio) on Tenstorrent hardware. The
files are byte-for-byte identical to the upstream releases; this repo hosts
them on the Hugging Face Hub so tt-bio can fetch them with `huggingface_hub`
like every other model it runs.
## Files
| File | Description |
|------|-------------|
| `boltzgen1_diverse.ckpt` | BoltzGen design model — diverse protocol |
| `boltzgen1_adherence.ckpt` | BoltzGen design model — adherence protocol |
| `boltzgen1_ifold.ckpt` | BoltzGen inverse-folding (sequence design) model |
| `boltz2_conf_final.ckpt` | Boltz-2 structure model used for the folding step |
| `boltz2_aff.ckpt` | Boltz-2 affinity model used for the affinity step |
| `mols.zip` | CCD molecule / component library |
> Note: `boltz2_aff.ckpt` here is the checkpoint shipped with the BoltzGen
> pipeline and differs from the one in [`moritztng/boltz-2`](https://huggingface.co/moritztng/boltz-2).
## Usage
tt-bio downloads these automatically when you run a design:
```bash
tt-bio gen run examples/design.yaml --output out/
```
Or fetch a single file directly:
```python
from huggingface_hub import hf_hub_download
path = hf_hub_download("moritztng/boltzgen", "boltzgen1_diverse.ckpt")
```
## Credit & license
BoltzGen is developed by Hannes Stärk and the BoltzGen authors and released
under the MIT License (<https://github.com/HannesStark/boltzgen>). The bundled
`boltz2_conf_final.ckpt` and `boltz2_aff.ckpt` are Boltz-2 weights by Jeremy
Wohlwend, Gabriele Corso, Saro Passaro and the Boltz authors, also MIT
(<https://github.com/jwohlwend/boltz>). All weights and the accompanying
`LICENSE` are redistributed here unmodified under those terms. Please cite
BoltzGen and Boltz if you use these weights.