Commits · v1.1.0 · Packages / signaturizer

02 Jul, 2020 24 commits
- ixing link in setup · 53499a48
  Martino Bertoni authored Jul 02, 2020
  
  53499a48
- increased version · 6c49d195
  Martino Bertoni authored Jul 02, 2020
  
  6c49d195
- adding pypy deploy · fbfb2b32
  Martino Bertoni authored Jul 02, 2020
  
  fbfb2b32
- fixed print · 1a6f6f69
  Martino Bertoni authored Jul 02, 2020
  
  1a6f6f69
- fixed unittests · 3fc3d3fa
  Martino Bertoni authored Jul 02, 2020
  
  3fc3d3fa
- activating conda enviroment · 3f6e24d6
  Martino Bertoni authored Jul 02, 2020
  
  3f6e24d6
- yet another approach · b22ade5e
  Martino Bertoni authored Jul 02, 2020
  
  b22ade5e
- testing another image · f2cdf36d
  Martino Bertoni authored Jul 02, 2020
  
  f2cdf36d
- fixing apt-get · 3667a2b7
  Martino Bertoni authored Jul 02, 2020
  
  3667a2b7
- missing system libraries · 5ccd52ea
  Martino Bertoni authored Jul 02, 2020
  
  5ccd52ea
- fixing wrong python version · eb786890
  Martino Bertoni authored Jul 02, 2020
  
  eb786890
- enable caching of library dependencies · 488d60d1
  Martino Bertoni authored Jul 02, 2020
  
  488d60d1
- updated unittests · 955de833
  Martino Bertoni authored Jul 02, 2020
  
  955de833
- fixing image · d70c1698
  Martino Bertoni authored Jul 02, 2020
  
  d70c1698
- missing rdkit, using their docker as image · d03da2dc
  Martino Bertoni authored Jul 02, 2020
  
  d03da2dc
- fixing requirements · 821583f0
  Martino Bertoni authored Jul 02, 2020
  
  821583f0
- remove future implementation · fd43e559
  Martino Bertoni authored Jul 02, 2020
  
  fd43e559
- initial CI script · 4a2c6449
  Martino Bertoni authored Jul 02, 2020
  
  4a2c6449
- updated reference url, fixed local model logic · e617fae1
  Martino Bertoni authored Jul 02, 2020
  
  e617fae1
- better docstring · 8c73651f
  Martino Bertoni authored Jul 02, 2020
  
  8c73651f
- remove debug prints · 98f103cf
  Martino Bertoni authored Jul 02, 2020
  
  98f103cf
- added multiple signature example · a07fba00
  Martino Bertoni authored Jul 02, 2020
  
  a07fba00
- fixed requirements · b1c2d9e7
  Martino Bertoni authored Jul 02, 2020
  
  b1c2d9e7
- saving dataset names in result, fadded method to clear tfhub cache, fixed verbosity · 0e53603b
  Martino Bertoni authored Jul 02, 2020
  
  0e53603b
01 Jul, 2020 12 commits
- handling overwriting existing detination · 8aeb4c34
  Martino Bertoni authored Jul 01, 2020
  
  8aeb4c34
- conda enviroment setup · e55c0074
  Martino Bertoni authored Jul 01, 2020
  
  e55c0074
- bugfix from Pau, changed GLOBAL signature logic, corrected the baseurl · 46afd6de
  Martino Bertoni authored Jul 01, 2020
  
  46afd6de
- Solved tf session bug and improved Signaturizer input logic · af5e4de2
  pbadia authored Jul 01, 2020
  
  af5e4de2
- fix markdown · 87f33176
  Martino Bertoni authored Jul 01, 2020
  
  87f33176
- added citing, better wording · eac8b7a2
  Martino Bertoni authored Jul 01, 2020
  
  eac8b7a2
- global signature naming · f57cddee
  Martino Bertoni authored Jul 01, 2020
  
  f57cddee
- better readme intro · 8cf0fed4
  Martino Bertoni authored Jul 01, 2020
  
  8cf0fed4
- removed changelog · 33cb3508
  Martino Bertoni authored Jul 01, 2020
  
  33cb3508
- added multiprediction example · 07c5f139
  Martino Bertoni authored Jul 01, 2020
  
  07c5f139
- added install from source · 099ee2e5
  Martino Bertoni authored Jul 01, 2020
  
  099ee2e5
- fixed setup.py · 4310eb8a
  Martino Bertoni authored Jul 01, 2020
  
  4310eb8a
30 Jun, 2020 4 commits
- fix typo · fae53f05
  Martino Bertoni authored Jun 30, 2020
  
  fae53f05
- improved example · d8725db5
  Martino Bertoni authored Jun 30, 2020
  
  d8725db5
- allowing exporting of uncompressed savedmodel · b0100ca2
  Martino Bertoni authored Jun 30, 2020
  
  b0100ca2
- add unittest on multiple prediction with nan molecules · 62eca493
  Martino Bertoni authored Jun 30, 2020
  
  62eca493