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Commits on Nov 7, 2024

• updated warning to logger (#1090)

  twinbrian

  authored
  7667172

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Commits on Oct 24, 2024

• splits file is json (#1083)

  KnathanM

  authored
  185ab0f

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Commits on Oct 23, 2024

• Bump version: 2.0.5 → 2.1.0

  shihchengli

  committed
  bf00b39

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• Update chemprop to v2.1 (#1038)

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  9 peopleauthored
  27a55eb

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Commits on Oct 21, 2024

• Add new example notebook for active learning (#910)

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  4 peopleauthored
  b026f24

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Commits on Oct 18, 2024

• v2.1 Feature: Replicates Instead of Cross Validation Folds (#994)

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  JacksonBurns

  and

  KnathanM

  authored
  42a1697

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• Add ray to tests on python 3 12 (#1064)

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  KnathanM

  and

  JacksonBurns

  authored
  83ec900

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Commits on Oct 12, 2024

• Bump version: 2.0.4 → 2.0.5

  shihchengli

  committed
  09b764b

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Commits on Oct 11, 2024

• Add new example notebook for transfer learning (#904)

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  4 peopleauthored
  564a719

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Commits on Oct 4, 2024

• Splits file docs (#1041)

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  KnathanM

  and

  shihchengli

  authored
  33af0cf

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Commits on Oct 3, 2024

• Add --checkpoint and --freeze-encoder flags in train CLI (#1007)

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  3 peopleauthored
  be9fd92

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Commits on Aug 27, 2024

• add rdkit_2d featurizer (#877)

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  KnathanM

  and

  shihchengli

  authored
  d34f83f

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Commits on Aug 25, 2024

• Refactor learning rate scheduler (#975)

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  3 peopleauthored
  277f703

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Commits on Aug 22, 2024

• Change the default verbose level to INFO (#953)

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  shihchengli

  and

  KnathanM

  authored
  39190db

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Commits on Aug 14, 2024

• Minor: Fix frzn-ffn-layers description and update doc for transfer learning (#993)

  oscarwumit

  authored
  5a3704f

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Commits on Jul 30, 2024

• Bump version: 2.0.3 → 2.0.4

  shihchengli

  committed
  2459752

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Commits on Jun 28, 2024

• Bump version: 2.0.2 → 2.0.3

  shihchengli

  committed
  e5aae85

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Commits on Jun 27, 2024

• Remove featurizing from datapoint (#876)

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  3 peopleauthored
  877931d

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Commits on Jun 21, 2024

• Add CLI pages for hpopt and fingerprint (#914)

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  4 peopleauthored
  6982ed3

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Commits on Jun 18, 2024

• Explicitly double save scalers/criterion (#898)

  KnathanM

  authored
  dae0343

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Commits on Jun 14, 2024

• Bump version: 2.0.1 → 2.0.2

  shihchengli

  committed
  f64881f

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Commits on Jun 12, 2024

• Add notebooks to document modules (#834)

  KnathanM

  authored
  1d11c43

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Commits on Jun 6, 2024

• Add CLI transition guide link to RTD (#907)

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  kevingreenman

  and

  KnathanM

  authored
  10a7df6

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• Fix typos in docstrings and .rst files that led to rendering errors (#901)

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  jonwzheng

  and

  JacksonBurns

  authored
  c2be5b9

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• Bump version: 2.0.0 → 2.0.1

  shihchengli

  committed
  33df735

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Commits on Jun 4, 2024

• Fix Circular Import with isort (#887)

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  JacksonBurns

  authored
  4f2c84c

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Commits on May 29, 2024

• Add pip setup step to environment.yml install instructions (#889)

  cjmcgill

  authored
  8ebf0cc

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Commits on May 22, 2024

• fix typo in autoapi ignore for tests path

  kevingreenman

  authored
  bace14e

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• update autoapi ignore to allow building readthedocs latest

  kevingreenman

  authored
  4ccfac5

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Commits on Apr 25, 2024

• Docker images for v2

  JacksonBurns

  committed
  83826b9

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Commits on Apr 24, 2024

• add missing indent to note

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  kevingreenman

  and

  shihchengli

  authored
  a9240c1

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Commits on Apr 23, 2024

• add link to docker docs for more gpu exposure options

  kevingreenman

  committed
  d84787e

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• use v1 instructions for building docker locally

  kevingreenman

  committed
  7289e6e

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• remove torch scatter from docker note

  kevingreenman

  committed
  553b5eb

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• add below to clarify

  kevingreenman

  committed
  06ec0b6

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