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Commits on Mar 29, 2022

• add split annotation train/test files for different annotations

  RMeli

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Commits on Mar 7, 2022

• ignore pytorch checkpoints

  RMeli

  committed
  fc63c74

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Commits on Feb 8, 2022

• ignore large files

  RMeli

  committed
  a0df4eb

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Commits on Feb 1, 2022

• download full database instead of downsampled

  RMeli

  committed
  bc7f908

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Commits on Jan 18, 2022

• start ignoring PDFs

  RMeli

  committed
  46a8be8

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Commits on Jan 17, 2022

• ignore checkpoints

  RMeli

  committed
  3000a3b

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Commits on Nov 26, 2021

• plot all results

  RMeli

  committed
  5a7ee31

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Commits on Nov 1, 2021

• generalise scripts for rigid docking

  RMeli

  committed
  206cc0f

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Commits on Oct 6, 2021

• cleanup

  RMeli

  committed
  de6704e

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Commits on Oct 5, 2021

• ignore output from probis

  RMeli

  committed
  aba83fe

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• ignore full cross-docking dataset

  RMeli

  committed
  39d4f76

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Commits on Oct 4, 2021

• ignore probis software

  RMeli

  committed
  c8b4b8c

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Commits on Jul 23, 2021

• flexible docking HPC script

  

  Rocco Meli

  committed
  c649ed3

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Commits on Jul 19, 2021

• ignore cross-docking data

  RMeli

  committed
  ab0e094

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Commits on Dec 14, 2020

• update gitignore

  RMeli

  committed
  e01bc13

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Commits on Jul 10, 2020

• cross docking analysis

  RMeli

  committed
  272a551

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Commits on Nov 25, 2019

• ignore crossdocking tests

  RMeli

  committed
  d45c23b

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Commits on Oct 22, 2019

• gitignore cleanup

  RMeli

  committed
  a93cf25

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Commits on Aug 26, 2019

• mlopt name change

  RMeli

  committed
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Commits on Aug 24, 2019

• gitignore

  RMeli

  committed
  0b93b17

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• renamed mlopt

  RMeli

  committed
  197fa11

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• folder name change to optimisation

  RMeli

  committed
  aa3627b

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Commits on Aug 22, 2019

• ignore minimised dataset

  RMeli

  committed
  d3f3a28

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Commits on Aug 18, 2019

• training with 33.5A box

  RMeli

  committed
  d960904

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• ignore most of training output

  RMeli

  committed
  7ab1ef8

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• ignore local backup folders

  RMeli

  committed
  1cf9531

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Commits on Aug 9, 2019

• ignore rows with water folder

  RMeli

  committed
  a03e0cc

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Commits on Aug 7, 2019

• ignore molcaches

  RMeli

  committed
  d58ce5e

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Commits on Aug 6, 2019

• ignore typefiles

  RMeli

  committed
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Commits on Aug 5, 2019

• ignore python stuff

  RMeli

  committed
  7f98525

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Commits on Aug 2, 2019

• ignore local optimisation output

  RMeli

  committed
  97e8230

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• ignore python pickle files

  RMeli

  committed
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Commits on Jul 9, 2019

• ignore cross validation rows

  RMeli

  committed
  032ddef

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Commits on Jul 8, 2019

• ignore more stuff

  RMeli

  committed
  4720402

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Commits on Jul 4, 2019

• ignore all archives

  RMeli

  committed
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