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DiffLinker / src

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  1. updated code

    igashov
    88b37fb

  1. Fix size nn for pocket-conditioned generation

    igashov
    4d1ca7b

  1. Change max batch_size

    igashov
    d8600ba

  2. Change max batch_size

    igashov
    ff512d8

  1. Variable number of samples

    igashov
    abdd514

  2. Pocket-conditioned generation

    igashov
    c104a99

  1. Added an option to select anchor atoms

    igashov
    92263a6

  1. Update src/datasets.py⁠

    igashov
    e4172ed

  1. handle nan values if linker size is small

    igashov
    c1152c1

  1. progress bar

    igashov
    e847c29

  2. progress bar

    igashov
    2464d06

  3. fix size_nn

    igashov
    d1da608

  4. update device

    igashov
    d5b42eb

  5. update device

    igashov
    f97fe8b

  6. DiffLinker code

    igashov
    95ba5bc