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DeepRank
This repository has been integrated in https://github.com/DeepRank/deeprank2
**Describe the bug** In docs/tutorial_deeplearning.rst, line 28, where generating the 'data_set', grid_info is not specified. **Actual Results or Error Info** `Traceback (most recent call last): File "dl_try.py", line 51, in...
**Is your feature request related to a problem? Please describe.** pair_chain_feature is not explained in the documentation nor in the tutorials.
From @manonreau on graphprot: When you store loss values, do not forget to detach it from the computation graph (that is used for the back propagation) or you could run...
**Describe the bug** While the installation process was perfectly fine, testing the successful installation involved running several files as mentioned in the website or in README.md file. While creating the...
The function `_get_relevance` of `NeuralNet` (that is called at each epoch) is really slow and takes up to a few hours on cartesius when training on 001-003 of BM5. In...
When loading a model that has been trained on GPU and loading it on CPU the line 230-240 of NeuralNet.py removes the state_dict keys and therefore we can't load the...
The `tools` has been replaced by `pdb2sql` and `freesasa` and should be removed for easier maintenance. @NicoRenaud
Deeprank uses xx.pth.tar as file extension (`NeuralNet.py`). It is not a tar file. Better change it to .pt.