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Crossdock#37

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ilanmitnikov wants to merge 19 commits intomastermolecularmachines/moleculib:masterfrom crossdockmolecularmachines/moleculib:crossdockCopy head branch name to clipboard

+3,329-81

Commits

Commits on Jan 10, 2024

• qm9 datum and fixes

  ilanmitnikov

  committed
  6841e25

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• elements from mendeleev

  ilanmitnikov

  committed
  7661e5e

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• atom features from mendeleev transform

  ilanmitnikov

  committed
  8721df4

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• use atom features qm9dataset param

  ilanmitnikov

  committed
  1a44500

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• normalize qm9 properties

  ilanmitnikov

  committed
  fd3928d

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Commits on Jan 14, 2024

• RS dataset ChIRo benchmark

  ilanmitnikov

  committed
  47d1e62

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Commits on Apr 12, 2024

• crossdock ds + protein with molecule viz

  ilanmitnikov

  committed
  6670c09

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Commits on Apr 30, 2024

• density pdbbind and more

  ilanmitnikov

  committed
  a364762

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Commits on May 1, 2024

• mistao start

  ilanmitnikov

  committed
  ba2e582

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Commits on May 2, 2024

• mistao datum

  ilanmitnikov

  committed
  0657157

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Commits on May 7, 2024

• misato viz dynamics

  ilanmitnikov

  committed
  b6f6044

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Commits on May 12, 2024

• misato density

  ilanmitnikov

  committed
  3b28837

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• interleaved density

  ilanmitnikov

  committed
  4672b4d

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• interleaved fix

  ilanmitnikov

  committed
  790d652

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• misato updates

  ilanmitnikov

  committed
  4e64612

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• update interleaved density

  ilanmitnikov

  committed
  f0c87b9

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Commits on May 13, 2024

• density scale updates

  ilanmitnikov

  committed
  7400d3e

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Commits on May 14, 2024

• react

  ilanmitnikov

  committed
  ed6e6cf

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• Merge branch 'master' into crossdock

  ilanmitnikov

  authored
  c034152

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