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Refine documentation (dptech-corp#1)
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* readme

* add contributing and dco
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ZiyaoLi authored Aug 1, 2022
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11 changes: 11 additions & 0 deletions CONTRIBUTING.md
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# How to Contribute

Uni-Fold is an ongoing project. Our target is to develop better protein folding models and to apply them in real scenarios together with the entire community. We welcome all contributions to this repository, including but not limited to 1) reports and fixes of bugs, 2) new features and 3) accuracy and efficiency improvements.

## Developer Certificate of Origin

Contributions to this project must be accompanied by a [Developer Certificate of Origin](DCO.txt). You (or your employer) retain the copyright to your contribution. The certificate only restrict you to use the same license in your contribution.

## Code review

All submissions, including submissions by project members, require review. We use GitHub pull requests for this purpose. Consult [GitHub Help](https://help.github.com/articles/about-pull-requests/) for more information on using pull requests.
21 changes: 21 additions & 0 deletions DCO.txt
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Developer Certificate of Origin

By making a contribution to this project, the contributor(“I”) certify that:

(1) The contribution was created in whole or in part by me, and I have the
right to submit it under the open source license indicated in the file; or

(2) The contribution is based upon previous work which is covered under an
appropriate open source license and I have the right under that license to
submit that work with modifications, whether created in whole or in part by
me, which are under the same open source license (unless I am permitted to
submit under a different license); or

(3) The contribution was provided directly to me by some other person who
certified (1), (2) or (3), and I have not modified it.

(4) I understand and agree that this project and the contribution are
public, and that a record of the contribution (including all personal
information I submit with it, including my sign-off) is maintained
indefinitely and may be redistributed consistent with this project or the
open source license(s) involved.
30 changes: 20 additions & 10 deletions README.md
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Expand Up @@ -15,6 +15,8 @@ The name Uni-Fold is inherited from Uni-Fold-JAX. First released on Dec 8 2021,

## Installation

[Instructions on installation]


## Preparing the datasets

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## Running Uni-Fold

After properly configurating the environment and databases, run the following command to predict the structure of the input fasta:
After properly configurating the environment and databases, run the following command to predict the structure of the target fasta:

```bash
bash run_unifold.sh \
path/to/the/input.fasta \ # fasta_path
path/to/the/output/directory/ \ # output_dir_base
path/to/the/databases \ # database_dir
2020-05-01 \ # max_template_date
model_2_af2 \ # model_name
path/to/model_parameters.pt # param_path
/path/to/the/input.fasta \ # target fasta file
/path/to/the/output/directory/ \ # output directory
/path/to/database/directory/ \ # directory of databases
2020-05-01 \ # use templates before this date
model_2_af2 \ # specify model name
/path/to/model_parameters.pt # model parameters
```

[More descriptions for model names and ckp names]
For monomer prediction, each fasta file shall contain only one sequence; for multimer prediction, the input fasta file shall contain all sequences of the target complex, **with duplicated homologous sequences**.

## Uni-Fold outputs

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### Monomer Model

[Train monomer code]

### Multimer Model

[Train multimer code]

## Citing this work

Expand All @@ -81,10 +86,15 @@ Our training framework is based on [Uni-Core](https://github.com/dptech-corp/Uni
## License and Disclaimer

Copyright 2022 DP Technology.

### Uni-Fold Code License

Follow AlphaFold, Uni-Fold is licensed under permissive Apache Licence, Version 2.0.
Uni-Fold is licensed under permissive Apache Licence, Version 2.0.

### Model Parameters License

The Uni-Fold parameters are made available under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0) license. You can find details at: https://creativecommons.org/licenses/by/4.0/legalcode
The Uni-Fold parameters are made available under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0) license. You can find details at: https://creativecommons.org/licenses/by/4.0/legalcode

### Contributing to Uni-Fold

Uni-Fold is an ongoing project. Our target is to develop better protein folding models and to apply them in real scenarios together with the entire community. We welcome all contributions to this repository, including but not limited to 1) reports and fixes of bugs, 2) new features and 3) accuracy and efficiency improvements. Please refer to [CONTRIBUTING.md](CONTRIBUTING.md) for more information.

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