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Commits on Jan 11, 2022

• Check for nans/infs in rdkit embedding and normalise features (theislab#63)

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  MxMstrmn

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  432f25e

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Commits on Nov 17, 2021

• Add gnn embeddings from pretraing models (dgl) (theislab#33)

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  MxMstrmn

  and

  siboehm

  authored
  7afd36f

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Commits on Nov 12, 2021

• Add chemical representation (theislab#24)

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  siboehm

  authored
  9f91e53

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Commits on Oct 26, 2021

• GPU Evaluation (theislab#19)

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  siboehm

  authored
  f9ba2e7

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Commits on Oct 14, 2021

• Add a working environment.yml

  siboehm

  committed
  0b4b3d8

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Commits on Aug 12, 2021

• Ignore configs

  MxMstrmn

  committed
  00dec82

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Commits on Aug 9, 2021

• Fix preprocessing lincs (theislab#11)

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  MxMstrmn

  authored
  6167a9a

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Commits on Jun 24, 2021

• Integrating GNN drug embedding, pathway scores functionality, seml configuration

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  Koncopd

  authored and

  MxMstrmn

  committed
  b60b3c4

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Commits on Apr 30, 2021

• add gitignore

  Koncopd

  committed
  d3b2113

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