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Commits on Apr 5, 2021

• Update neuralnetwork.py

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  365487c

Commits on Jan 19, 2021

• Changes to Gaussian class and handler.

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  committed
  37b64c4

Commits on Jan 7, 2021

• Fix m2r2 issue. See sphinx-doc/sphinx#8395

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  7923396

Commits on Oct 18, 2020

• Merge pull request #22 from vishankkumar/requirement_update

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  0b249ee

Commits on Oct 11, 2020

• m2r fix.

  muammar

  committed
  cb8b816

• neuralnetwork module compatible with new pytorch versions.

  muammar

  committed
  b92b167

Commits on Sep 13, 2020

• Updated documentation.

  muammar

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  1756320

• Updated requirements for building documentation.

  muammar

  committed
  bff7ab7

Commits on Aug 12, 2020

• Modifications needed for autoencoders module work with new loss structure.

  muammar

  committed
  bd2085b

Commits on Aug 10, 2020

• TopologicalLoss is now a class and supports loss weights.

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  committed
  ebbed61

Commits on Aug 3, 2020

• Merge branch 'master' of https://github.com/muammar/ml4chem into master

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  70b570e

• Merge pull request #20 from muammar/topoae

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  f436f77

Commits on Jul 29, 2020

• Use torch.norm instead of np.linalg.norm.

  muammar

  committed
  4c1a40e

• Addition of reconstruction to TopologicalLoss and training seems to work.

  muammar

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  108c265

Commits on Jul 27, 2020

• Addition of Topological loss function.

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  committed
  c28fa6f

Commits on Jun 1, 2020

• Merge branch 'master' into active_learning

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  committed
  329b12c

• General improvements.

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  committed
  b127fcf

Commits on Mar 19, 2020

• Support of different cutoff radius for radial/angular symmetry

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  0d14b7a

Commits on Mar 17, 2020

• New improvements to AEV class and documentation.

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  committed
  06993ed

Commits on Mar 15, 2020

• Started documentation of G2 in AEV, and removed pip from readthedocs.

  muammar

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  81fdf21

• Some more changes related to rdt.

  muammar

  committed
  3c702ae

• Improvements in documentations and new AEV features class.

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  committed
  d2dec15

Commits on Mar 13, 2020

• Mocking more modules and fixed typo in documentation.

  muammar

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  602f987

Commits on Mar 12, 2020

• These changes might improve the readthedocs build.

  muammar

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  51c4145

• Improvements to documentation.

  muammar

  committed
  1cda502

Commits on Mar 11, 2020

• Improving documentation.

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  committed
  bf6a55e

Commits on Mar 9, 2020

• Update README.md

  muammar

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  f48c1d5

• Added ChemrXiv bibtex

  muammar

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  244df59

Commits on Mar 7, 2020

• Fix DeepLearningModel base and rerun some of the examples.

  muammar

  committed
  5bc7808

• General improvements.

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  committed
  454552c

Commits on Mar 6, 2020

• Bump version to dev mode.

  muammar

  committed
  b11e1bd

• Revert "Update conf.py with MagicMock"

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  muammar

  committed
  711087a

• Update conf.py with MagicMock

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  authored
  1971271

• New general improvements.

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  35b3971

Commits on Feb 28, 2020

• General improvements.

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  committed
  85681e9

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