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Commits on Oct 16, 2023

• Breaking: rename robust loss functions (#77)

  janosh

  committedOct 16, 2023
  8bd9a23

Commits on Oct 3, 2023

• pre-commit autoupdate (#76)

  pre-commit-ci[bot]

  committedOct 3, 2023
  5aa92f4

Commits on Aug 10, 2023

• v0.1.1

  janosh

  committedAug 10, 2023
  ae0c2fd

• Fix get_aflow_label_from_spglib (#75)

  janosh

  committedAug 10, 2023
  e43685f

Commits on Jul 4, 2023

• [pre-commit.ci] pre-commit autoupdate (#74)

  

  pre-commit-ci[bot]

  and

  janosh

  committedJul 4, 2023
  a009fe7

Commits on Jun 17, 2023

• fix: add gzip and json imports

  CompRhys

  committedJun 17, 2023
  953db52

• fix: taata couldn't be loaded using pandas function

  CompRhys

  committedJun 17, 2023
  d8c5e4e

Commits on May 20, 2023

• More ruff (#73)

  janosh

  committedMay 20, 2023
  61c17ad

Commits on Apr 4, 2023

• [pre-commit.ci] pre-commit autoupdate (#71)

  

  pre-commit-ci[bot]

  and

  janosh

  committedApr 4, 2023
  0294179

Commits on Mar 28, 2023

• Fix setuptools.packages.find (#70)

  janosh

  committedMar 28, 2023
  478bc09

Commits on Mar 3, 2023

• include model run_id in save_results_dict() output path

  janosh

  committedMar 3, 2023
  1fbec21

Commits on Feb 23, 2023

• Fix ruff errors (#69)

  janosh

  committedFeb 23, 2023
  1bd8089

Commits on Feb 22, 2023

• Pyproject (#68)

  janosh

  committedFeb 22, 2023
  ec417cb

Commits on Feb 18, 2023

• fix mat_bench/train_wrenformer.py

  janosh

  committedFeb 18, 2023
  5867eb5

Commits on Feb 3, 2023

• pre-commit autoupdate && pre-commit run --all-files

  janosh

  committedFeb 3, 2023
  7f4bcd2

Commits on Jan 26, 2023

• Create CONTRIBUTING.md

  CompRhys

  committedJan 26, 2023
  decfa08

• release: bump minor version due to cgcnn input changes

  CompRhys

  committedJan 26, 2023
  d93bac3

Commits on Jan 25, 2023

• fix: stop returning the results dict

  CompRhys

  committedJan 25, 2023
  ddb6721

• fix: make json file for cgcnn example and fix cgcnn example

  CompRhys

  committedJan 25, 2023
  3f41e8c

• fix: remove old cgcnn input from the get from poscar example

  CompRhys

  committedJan 25, 2023
  013e014

• fea: remove the default for datapath

  CompRhys

  committedJan 25, 2023
  eb0bb60

• fix: ensure the roost and wren examples in working order according to readme

  CompRhys

  committedJan 25, 2023
  cee5029

Commits on Jan 23, 2023

• update examples/cgcnn-example.py to match new input format of pymatgen Structures in CrystalGraphData

  janosh

  committedJan 23, 2023
  c102898

Commits on Jan 11, 2023

• rm environment-gpu-cu111.yml and conda installation section from readme

  janosh

  committedJan 11, 2023
  b2e954c

• drop py 3.7 support

  janosh

  committedJan 11, 2023
  c6ef44a

Commits on Jan 6, 2023

• move aviary.deploy -> aviary.predict

  janosh

  committedJan 6, 2023
  01a2919

Commits on Jan 3, 2023

• [pre-commit.ci] pre-commit autoupdate

  

  pre-commit-ci[bot]

  authored and

  janosh

  committedJan 3, 2023
  904c719

Commits on Dec 3, 2022

• add cache_dir arg to predict_from_wandb_checkpoints()

  janosh

  committedDec 3, 2022
  e2bfd50

• CrystalGraphData include df.index in isolated structure cleaning report

  janosh

  committedDec 3, 2022
  e8790c1

Commits on Nov 29, 2022

• fix pd.Series is not hashable error in CrystalGraphData

  janosh

  committedNov 29, 2022
  075ee14

• add nbQA pre-commit hooks flake8 isort pyupgrade

  janosh

  committedNov 29, 2022
  9c40d2e

• remove matminer import from Roost+Wren example notebooks

  janosh

  committedNov 29, 2022
  df11641

• fix readme launch codespace url

  janosh

  committedNov 29, 2022
  112f195

• add torch + torch-scatter install to devcontainer

  janosh

  committedNov 29, 2022
  379730d

• bump torch and torch-scatter from 1.12 to 1.13 in CI

  janosh

  committedNov 29, 2022
  b47f5fe

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