Unverified Commit 02b008dc authored by Dingquan Yu's avatar Dingquan Yu Committed by GitHub
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Update README.md

parent 7e969e48
...@@ -5,11 +5,21 @@ ...@@ -5,11 +5,21 @@
NB: before running the test codes,please download the procrustes package first: NB: before running the test codes,please download the procrustes package first:
from https://github.com/theochem/procrustes from https://github.com/theochem/procrustes
To test the permutation codes:
The only file that has been changed is: ```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 [```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 original ```AlphaFoldLoss``` class;
has multi-chain permutation codes.
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: These files are newly added:
[```tests/test_permutation.py```](https://github.com/dingquanyu/openfold/blob/permutation/tests/test_permutation.py): A unittest script [```tests/test_permutation.py```](https://github.com/dingquanyu/openfold/blob/permutation/tests/test_permutation.py): A unittest script
......
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