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4937f61

Modified .gitignore to ignore development folder ./Edesolv

DarioMarzella Aug 24, 2020

e76671a

Added development direcotry ./Edesolv/

DarioMarzella Sep 16, 2020

9d2f91b

Add first version of class_edesolv.py

Dec 21, 2020

5ae370a

Merge remote-tracking branch 'origin/master' into issue_68_Edesolv

DarioMarzella Feb 2, 2021

7c284df

Add Edesolv.py to deeprank/features. Still have to test it in DataGen…

DarioMarzella Apr 6, 2021

59faeab

Merge pull request #224 from DeepRank/master

DarioMarzella Apr 7, 2021

8edff4d

Updated Edesolv.py. First test with only CAPRI T35 gave positive resu…

Jun 30, 2021

99ea3e5

Add docstrings to deeprank/features/Edesolv.py. Add Edesolv to docs/d…

DarioMarzella Jul 15, 2021

1d14acb

Remove folder 'Edesolv' used for testing during the development

DarioMarzella Jul 15, 2021

6fed0fc

Improve Edesolv class docstring. Remove useless prints. Add chain1 an…

DarioMarzella Aug 3, 2021

33d9764

Fix Atom.__init__ docstring

DarioMarzella Aug 3, 2021

26a17dd

Add Atomic superclass reference in Edesolv

DarioMarzella Aug 4, 2021

b2da493

Resize lines to stay within 80 characters

DarioMarzella Aug 4, 2021

b8bcc63

Now free edesolvv is calculated from two separated structures, each o…

DarioMarzella Aug 10, 2021

abdc800

Update test_generate.py to also use Edesolv as a feature

DarioMarzella Aug 10, 2021

1bb178f

Add one line to DataGenerator.py to fix issue #240

DarioMarzella Aug 10, 2021

84a57fa

Add Biopython as requirement in setup.py

DarioMarzella Aug 13, 2021

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