Dario Marzella
Dario Marzella
Energy of desolvation currently working in this branch (complete issue: [#issue68](https://github.com/DeepRank/deeprank/issues/68)). The organization of ```deeprank/features/Edesolv.py``` though might not be great, so I would appreciate comments on that (if needed).
**Describe the bug** DataGenerator crashes when no "pssm_source" is provided **Environment:** - OS system:Linux **To Reproduce** Steps/commands to reproduce the behaviour: 1. Create a DataGenerator object, do not specify "pssm_souce"...
**Describe the problem** The data_set definition in "Tutorial: Deep Learning" is obsolete, not up-to-date with the data_set definition present in `test/test_learn.py`. **Environment:** - OS system: Linux **To Reproduce** Steps/commands to...
Advanced tutorial for creating your own features and targets presents some typos and it's not really clear. Especially, it's not clear how the feature/target should be shaped to be correctly...
**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.
pdb2sql is now a stand-alone package, while in the advanced tutorial and in the `tools/REAMDE.md` is still reported as a deeprank module. I have corrected the tutorial and removed the...
**Is your feature request related to a problem? Please describe.** In `deeprank.learn.modelGenerator` (and, sequentially, in all generated models like `deeprank.lean.model3d ` and ` deeprank.lean.model2d `) in the `_get_conv_output` function, the...