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Commits on Apr 1, 2020

• Merge pull request #4 from abradle/master

  Show description for b98bb78
  reskyner

  authored
  b98bb78

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Commits on Jun 16, 2019

• v0.1.0

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  abradle

  committed
  4dca815

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Commits on Jan 10, 2019

• Update README.md

  abradle

  authored
  e98d406

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Commits on Sep 10, 2018

• 0.0.30 release

  

  abradle

  committed
  156c1ce

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• Reformatted repo according to black rules

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  abradle

  committed
  3ced4ba

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Commits on Jul 27, 2018

• Save the h_added file

  

  abradle

  committed
  d8b08e7

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• v0.0.28 release - add hydrogens

  

  abradle

  committed
  493327d

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Commits on Jul 25, 2018

• Use without display

  

  abradle

  committed
  6094e34

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• Update to v0.0.26

  

  abradle

  committed
  eaea7ff

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Commits on Jul 24, 2018

• Update solvent splitting

  

  abradle

  committed
  63fc2f8

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• Update fragalysis getting code to add Hs

  

  abradle

  committed
  167d535

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Commits on Jul 22, 2018

• Atom ids

  

  abradle

  committed
  af32f43

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• Debug

  

  abradle

  committed
  bebf6d4

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• Fix bug

  

  abradle

  committed
  b1afd09

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• Remove straggling prolines

  

  abradle

  committed
  4cd23ea

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• v0.0.23

  

  abradle

  committed
  a20b5c4

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Commits on Jul 21, 2018

• Double the solvent box extra

  

  abradle

  committed
  9df6b7c

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• Updated chunking code to not find single NMEs with ring splits.

  Show description for 326b2db
  

  abradle

  committed
  326b2db

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Commits on Jul 19, 2018

• Use ready protonated ligands

  

  abradle

  committed
  fd78470

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• New release 0.0.21

  

  abradle

  committed
  a0986c6

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• Remove aliases

  

  abradle

  committed
  608fb53

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Commits on Jul 18, 2018

• Bug fix and 0.0.20

  

  abradle

  committed
  e473a1e

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• v0.0.19

  

  abradle

  committed
  1a5a1c8

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• Debug

  

  abradle

  committed
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• Debug

  

  abradle

  committed
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• Debug

  

  abradle

  committed
  325a53b

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• Debug

  

  abradle

  committed
  7947f45

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• Update tet

  

  abradle

  committed
  322c458

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• Update chunking

  

  abradle

  committed
  0bc04ed

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• Update

  

  abradle

  committed
  b537afe

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• Update call

  

  abradle

  committed
  b9cdd61

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• Update script to go from yaml

  

  abradle

  committed
  bfd150f

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• Updated chunking code

  

  abradle

  committed
  d47e0bc

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• Bugfix

  

  abradle

  committed
  9a2ccee

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• Added do_chunk script

  

  abradle

  committed
  bb62cc8

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