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Musse (#102)
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* Uni-Fold Musse

* mv plm to ssmultimer

* update readme

* udpatereadme

* ss to musse

* rename fn

* fix monomer bug
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teslacool committed Mar 2, 2023
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Expand Up @@ -243,6 +243,36 @@ bash run_uf_symmetry.sh \

to inference with UF-Symmetry. **Note that the input FASTA file should contain the sequences of the asymmetric unit only, and a symmetry group must be specified for the model.**

## Run Uni-Fold Musse

### Installing Uni-Fold MuSSe

Clone & install unifold.
```shell
git clone --single-branch -b Musse git@github.com:dptech-corp/Uni-Fold.git unifold_musse
cd unifold_musse
pip install -e .
```
### Downloading the pre-trained model parameters
Use the following command to download the parameters of our further pre-trained protein language model and single sequence protein complex predictor:
```shell
# the protein language model
wget https://bioos-hermite-beijing.tos-cn-beijing.volces.com/unifold_model/unifold_musse/plm.pt

# the protein complex predictor
wget https://bioos-hermite-beijing.tos-cn-beijing.volces.com/unifold_model/unifold_musse/mp.pt
```

### Running Uni-Fold MuSSe
Run the following command to predict the structure of the target fasta:
```shell
bash run_unifold_musse.sh \
/path/to/the/input.fasta \ # target fasta file
/path/to/the/output/directory/ \ # output directory
/path/to/multimer_model_parameters.pt \ # multimer predictor parameters
/path/to/pretrain_lm_parameters.pt # language model parameters

```
## Inference on Hermite

We provide covenient structure prediction service on [Hermite™](https://hermite.dp.tech/), a new-generation drug design platform powered by AI, physics, and computing. Users only need to upload sequences of protein monomers and multimers to obtain the predicted structures from Uni-Fold, acompanied by various analyzing tools. [Click here](https://docs.google.com/document/d/1iFdezkKJVuhyqN3WvzsC7-422T-zf18IhP7M9CBj5gs) for more information of how to use Hermite™.
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