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Commits on Aug 24, 2021

• FFNN tested

  AlexisMolinaMR

  committedAug 24, 2021
  e6a0643

• Update README.md

  AlexisMolinaMR

  authoredAug 24, 2021
  ee3c36a

• Update README.md

  AlexisMolinaMR

  authoredAug 24, 2021
  fa20d08

• Update README.md

  AlexisMolinaMR

  authoredAug 24, 2021
  678200f

• FFNN no test

  AlexisMolinaMR

  committedAug 24, 2021
  1acf958

Commits on May 10, 2021

• Rm yaml

  AlexisMolinaMR

  committedMay 10, 2021
  d2a6f10

Commits on Apr 7, 2021

• Fix img-real conversion tolerance

  AlexisMolinaMR

  committedApr 7, 2021
  999750b

Commits on Apr 4, 2021

• Fix ligand parse

  AlexisMolinaMR

  committedApr 4, 2021
  7f48d49

Commits on Apr 1, 2021

• Update README.md

  AlexisMolinaMR

  authoredApr 1, 2021
  8892701

• Update README.md

  AlexisMolinaMR

  authoredApr 1, 2021
  cb57aa3

• Update README.md

  AlexisMolinaMR

  authoredApr 1, 2021
  b7bab0c

• Update README.md

  AlexisMolinaMR

  authoredApr 1, 2021
  0a87504

• Merge branch 'master' of https://github.com/AlexisMolinaMR/PeleAI

  AlexisMolinaMR

  committedApr 1, 2021
  c2ff022

• ligand atom types

  AlexisMolinaMR

  committedApr 1, 2021
  ac32abe

Commits on Mar 22, 2021

• Update README.md

  AlexisMolinaMR

  authoredMar 22, 2021
  9c71410

Commits on Mar 19, 2021

• Update README.md

  AlexisMolinaMR

  authoredMar 19, 2021
  d4258b7

• Update README.md

  AlexisMolinaMR

  authoredMar 19, 2021
  2e58a27

• Repo-like organization, solo execution and pipelinening

  AlexisMolinaMR

  committedMar 19, 2021
  c265970

Commits on Feb 18, 2021

• Fixed parsing DF

  AlexisMolinaMR

  committedFeb 18, 2021
  09aa3f3

Commits on Feb 11, 2021

• Add hydrogens

  AlexisMolinaMR

  committedFeb 11, 2021
  df7f755

Commits on Feb 10, 2021

• Protein atom types implemented

  AlexisMolinaMR

  committedFeb 10, 2021
  2eff3b9

Commits on Feb 1, 2021

• Custom file name + scalable atom types

  AlexisMolinaMR

  committedFeb 1, 2021
  7b62612

Commits on Nov 19, 2020

• Fix output value MLPR

  AlexisMolinaMR

  committedNov 19, 2020
  9fce091

• Fix unpacked values XGNB

  AlexisMolinaMR

  committedNov 19, 2020
  4819c87

Commits on Nov 17, 2020

• Update README.md

  AlexisMolinaMR

  authoredNov 17, 2020
  d21304b

Commits on Nov 16, 2020

• Update README.md

  AlexisMolinaMR

  authoredNov 16, 2020
  d0f8f55

• Update README.md

  AlexisMolinaMR

  authoredNov 16, 2020
  5cdab6c

• Requirements file

  AlexisMolinaMR

  committedNov 16, 2020
  05a91e9

• Update README.md

  AlexisMolinaMR

  authoredNov 16, 2020
  c39efbd

• Update README.md

  AlexisMolinaMR

  authoredNov 16, 2020
  16b3f3c

• Small fix fit_graph

  AlexisMolinaMR

  committedNov 16, 2020
  9b85f2b

• ready to use

  AlexisMolinaMR

  committedNov 16, 2020
  2d26dda

Commits on Oct 20, 2020

• Delete 2D descriptors from repo

  AlexisMolinaMR

  committedOct 20, 2020
  395b45c

• Add 3D graph and organization on 3D descriptors

  AlexisMolinaMR

  committedOct 20, 2020
  2981f25

Commits on May 10, 2020

• All ligands

  AlexisMolinaMR

  committedMay 10, 2020
  2466944

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