materialsvirtuallab / megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
BSD 3-Clause "New" or "Revised" License
502 stars 156 forks source link

Bump megnet from 0.3.5 to 1.3.2 #379

Closed dependabot[bot] closed 1 year ago

dependabot[bot] commented 1 year ago

Bumps megnet from 0.3.5 to 1.3.2.

Release notes

Sourced from megnet's releases.

v1.3.2

  • Disable progress bar for readability.

v1.3.1

  • Disable notifications.

v1.3.0

  • Enable isolated atom calculations

v1.2.9

  • Security fix of tensorflow
  • Docstring fix @​a-ws-m
  • Minor format fixes

v1.2.8

  • Revert to use tf.gather with warnings for speed concerns

v1.2.7

  • Add swish activation function
  • Remove training warning
  • Update tutorial

v1.2.6

  • Stability improvements

v1.2.5

  • Include data files in wheel

v1.2.4

  • Add pre-trained multi-fidelity models
  • Add utils for disordered site representation

v1.2.3

  • Add more multi-fidelity plots

v1.2.2

  • Revising plotting of multifidelity work

v1.2.1 release

  1. Fix molecular graph to enable flexible ring size.
  2. Fix typo

v1.2.0

  • Bug fix

v1.1.9

  • Add multi-fidelity model examples
  • Add sample weights for model training
  • Add default optimizer gradient norm clip

... (truncated)

Changelog

Sourced from megnet's changelog.

v1.3.2

  • Disable progress bar for readability.

v1.3.1

  • Disable notifications.

v1.3.0

  • Enable isolated atom calculations

v1.2.9

  • Security fix of tensorflow
  • Docstring fix @​a-ws-m
  • Minor format fixes

v1.2.8

  • Revert to use tf.gather with warnings for speed concerns

v1.2.7

  • Add swish activation function
  • Remove training warning
  • Update tutorial

v1.2.6

  • Stability improvements

v1.2.5

  • Include data files in wheel

v1.2.4

  • Add pre-trained multi-fidelity models
  • Add utils for disordered site representation

v1.2.3

  • Add more multi-fidelity plots

v1.2.2

  • Revising plotting of multifidelity work

v1.2.1

  • Release for minting DOI

v1.2.0

  • Bug fix

v1.1.9

  • Add multi-fidelity model examples
  • Add sample weights for model training
  • Add default optimizer gradient norm clip

v1.1.8

... (truncated)

Commits
  • 652786b Update changelog.
  • e5fbc23 Update reqs.
  • ab76bf4 Merge branch 'master' of github.com:materialsvirtuallab/megnet
  • 6d2fa0a Add note on DGL version of MEGNet.
  • ad65538 Merge pull request #365 from dgaines2/fix-validation
  • fac4134 Always set val_generator to None
  • 8199cd3 Merge pull request #364 from dgaines2/fix-lr-callback
  • c7d8d7e [pre-commit.ci] auto fixes from pre-commit.com hooks
  • f53347e Remove ReduceLRUponNan from callbacks
  • ea43a1b [pre-commit.ci] auto fixes from pre-commit.com hooks
  • Additional commits viewable in compare view


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