NB: before running the test codes,please download the procrustes package first:
from https://github.com/theochem/procrustes
The only file that has been changed is:
To test the permutation codes:
```bash
python -m unittest tests/test_permutation.py
```
The files that has been changed is:
[```openfold/utils/loss.py```](https://github.com/dingquanyu/openfold/blob/permutation/openfold/utils/loss.py), in which the forward function is modified in
original ```AlphaFoldLoss``` class; create a child class called ```AlphaFoldMultimerLoss``` that not only inherited all the loss calculations but also
has multi-chain permutation codes.
original ```AlphaFoldLoss``` class;
create a child class called ```AlphaFoldMultimerLoss``` that not only inherited all the loss calculations but also
has multi-chain permutation codes;
some loss calculations have to be modified e.g. in ```fape``` loss, ```tm``` loss calculations, an extra validation was added to check if the input tensor belongs to tensor_7 or tensor_4*4
[```openfold/config.py```](https://github.com/dingquanyu/openfold/blob/permutation/openfold/config.py) has seen a couple of modifications as well. Some namings were wrong and previous script forgot to update config.loss with multimer_model_config_update
These files are newly added:
[```tests/test_permutation.py```](https://github.com/dingquanyu/openfold/blob/permutation/tests/test_permutation.py): A unittest script
