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base repository: oddt/oddt
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base: master
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head repository: oddt/oddt
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compare: feature/new_pdbbind
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  • 8 commits
  • 17 files changed
  • 1 contributor

Commits on Jul 5, 2020

  1. Determine the base angle using atoms hybridization

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  2. Correct test results

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  3. Remove Hs from neighbors

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  4. Fix recent versions of PDBbind

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  5. Generate new baseline NNScore descriptors

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  6. Update RFscore descriptors

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  7. Bump default PDBbind versions for RFscore and NNscore

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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  8. Disable PDBbind 2016 tests for now

    @mwojcikowski
    mwojcikowski committed Jul 5, 2020
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