Ecosyste.ms: Issues

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GitHub / materialsvirtuallab/megnet issues and pull requests

#100 - Bump scikit-learn from 0.22.1 to 0.22.2.post1

Pull Request - State: closed - Opened by dependabot-preview[bot] over 4 years ago
Labels: dependencies

#99 - Bump pymatgen from 2020.1.28 to 2020.3.2

Pull Request - State: closed - Opened by dependabot-preview[bot] over 4 years ago
Labels: dependencies

#98 - Bump scikit-learn from 0.22.1 to 0.22.2

Pull Request - State: closed - Opened by dependabot-preview[bot] over 4 years ago - 1 comment
Labels: dependencies

#97 - the unit of Gibbs free enegy is kj/mol or eV

Issue - State: closed - Opened by liuxiaotong15 over 4 years ago - 6 comments

#95 - Bump coveralls from 1.11.0 to 1.11.1

Pull Request - State: closed - Opened by dependabot-preview[bot] over 4 years ago
Labels: dependencies

#94 - Bump coveralls from 1.10.0 to 1.11.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#93 - Bump pandas from 1.0.0 to 1.0.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#92 - Bump pytest from 5.3.4 to 5.3.5

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#91 - Bump pandas from 0.25.3 to 1.0.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#90 - Bump pymatgen from 2020.1.10 to 2020.1.28

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#89 - Bump tensorflow from 2.0.0 to 2.0.1

Pull Request - State: closed - Opened by dependabot[bot] almost 5 years ago
Labels: dependencies

#88 - [Security] Bump tensorflow from 2.0.0 to 2.1.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 3 comments
Labels: dependencies, security

#87 - Bump pytest from 5.3.2 to 5.3.4

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#86 - Bump pytest from 5.3.2 to 5.3.3

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#85 - Bump pymatgen from 2019.12.22 to 2020.1.10

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#84 - Bump coverage from 5.0.2 to 5.0.3

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#83 - Bump pydocstyle from 5.0.1 to 5.0.2

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#82 - Bump tensorflow from 2.0.0 to 2.1.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#81 - Bump numpy from 1.18.0 to 1.18.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#80 - Bump coverage from 5.0.1 to 5.0.2

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#79 - Bump scikit-learn from 0.22 to 0.22.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#78 - Bump coveralls from 1.9.2 to 1.10.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#77 - Bump coverage from 5.0 to 5.0.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#76 - Bump pymatgen from 2019.12.3 to 2019.12.22

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#75 - Bump numpy from 1.17.4 to 1.18.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago - 1 comment
Labels: dependencies

#74 - Bump mypy from 0.760 to 0.761

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#73 - Bump mypy from 0.750 to 0.760

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#72 - early stopping seems not work?

Issue - State: closed - Opened by liuxiaotong15 almost 5 years ago - 5 comments

#71 - how many gpu you used for training?

Issue - State: closed - Opened by liuxiaotong15 almost 5 years ago - 27 comments

#70 - Bump coverage from 4.5.4 to 5.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#69 - Bump pytest from 5.3.1 to 5.3.2

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#68 - Bump pydocstyle from 5.0.0 to 5.0.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#67 - Bump pydocstyle from 4.0.1 to 5.0.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#66 - Batch training error and NaN loss from the first epoch

Issue - State: closed - Opened by yanselmo almost 5 years ago - 1 comment

#65 - Bump pymatgen from 2019.11.11 to 2019.12.3

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#64 - Bump coveralls from 1.9.1 to 1.9.2

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#63 - Bump coveralls from 1.8.2 to 1.9.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#62 - Bump scikit-learn from 0.21.3 to 0.22

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#61 - Bump mypy from 0.740 to 0.750

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#60 - Bump pytest from 5.3.0 to 5.3.1

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#59 - Bump pytest from 5.2.4 to 5.3.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#58 - Bump pytest from 5.2.3 to 5.2.4

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#57 - Bump pytest from 5.2.2 to 5.2.3

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 5 years ago
Labels: dependencies

#56 - Question about notebooks

Issue - State: closed - Opened by rookiecoder-chen about 5 years ago - 1 comment

#55 - Bump pymatgen from 2019.10.16 to 2019.11.11

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#54 - Bump numpy from 1.17.3 to 1.17.4

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#53 - Bump pandas from 0.25.2 to 0.25.3

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#52 - Failed to convert a NumPy array to a Tensor (Unsupported numpy type: NPY_INT).

Issue - State: closed - Opened by dinhanhminh about 5 years ago - 13 comments

#51 - Bump flake8 from 3.7.8 to 3.7.9

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#50 - Bump pytest from 5.2.1 to 5.2.2

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#49 - Bump pandas from 0.25.1 to 0.25.2

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#48 - On the use of train molecule data for megnet

Issue - State: closed - Opened by rookiecoder-chen about 5 years ago - 8 comments

#47 - Bump numpy from 1.17.2 to 1.17.3

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#46 - Bump pymatgen from 2019.10.4 to 2019.10.16

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#45 - Bump mypy from 0.730 to 0.740

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#44 - On the use of training molecule data for megnet

Issue - State: closed - Opened by rookiecoder-chen about 5 years ago - 5 comments

#43 - Bump pytest from 5.2.0 to 5.2.1

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#42 - Bump pytest-cov from 2.8.0 to 2.8.1

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#41 - Bump keras from 2.3.0 to 2.3.1

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#40 - Bump pymatgen from 2019.10.3 to 2019.10.4

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#39 - Bump pytest-cov from 2.7.1 to 2.8.0

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#38 - Bump pymatgen from 2019.10.2 to 2019.10.3

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#37 - Bump monty from 3.0.1 to 3.0.2

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#36 - Bump pymatgen from 2019.9.16 to 2019.10.2

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#35 - Bump monty from 3.0.0 to 3.0.1

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#34 - On the use of training data for megnet

Issue - State: closed - Opened by okunoyukihiro2 about 5 years ago - 2 comments

#33 - Bump tensorflow from 1.14.0 to 2.0.0

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#32 - Bump pytest from 5.1.3 to 5.2.0

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#31 - Bump monty from 2.0.6 to 3.0.0

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#30 - Bump pytest from 5.1.2 to 5.1.3

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#29 - Bump keras from 2.2.5 to 2.3.0

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#28 - Bump pymatgen from 2019.9.12 to 2019.9.16

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#27 - Bump pymatgen from 2019.9.8 to 2019.9.12

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#26 - Bump pymatgen from 2019.8.23 to 2019.9.8

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#25 - Bump numpy from 1.17.1 to 1.17.2

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#24 - Bump keras from 2.2.4 to 2.2.5

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#23 - Bump numpy from 1.16.4 to 1.17.1

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#22 - Bump pandas from 0.25.0 to 0.25.1

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#21 - Bump pytest from 5.0.1 to 5.1.2

Pull Request - State: closed - Opened by dependabot-preview[bot] about 5 years ago
Labels: dependencies

#20 - MEGNetLayer edge output is not differentiable

Issue - State: closed - Opened by wimwimyam about 5 years ago - 8 comments

#19 - Got nan in loss

Issue - State: closed - Opened by nissy-dev about 5 years ago - 3 comments

#18 - Atom feature dimension in qm9_example.ipynb

Issue - State: closed - Opened by nissy-dev over 5 years ago - 1 comment

#17 - Error: converter or convertor and include_site

Issue - State: closed - Opened by ckae95 over 5 years ago - 5 comments

#16 - Fix Keras Imports

Pull Request - State: closed - Opened by WardLT over 5 years ago

#15 - Metrics in MEGNetModel

Pull Request - State: closed - Opened by lauri-codes over 5 years ago - 1 comment

#14 - Target scaler

Pull Request - State: closed - Opened by lauri-codes over 5 years ago - 1 comment

#13 - Example with MolecularGraphBatchGenerator?

Issue - State: closed - Opened by tawe141 over 5 years ago - 3 comments

#12 - Improvements to Molecular Graph Performance

Pull Request - State: closed - Opened by WardLT over 5 years ago

#11 - Wrong version of libprotobuf

Issue - State: closed - Opened by tawe141 over 5 years ago - 2 comments

#10 - Make targets an optional argument for generators

Pull Request - State: closed - Opened by WardLT over 5 years ago

#9 - Add caching of molecular graphs

Pull Request - State: closed - Opened by WardLT over 5 years ago

#8 - Add dropout on predict

Pull Request - State: closed - Opened by WardLT over 5 years ago - 9 comments

#7 - Making workflows more flexible

Pull Request - State: closed - Opened by WardLT over 5 years ago - 2 comments

#6 - How to make reference log10K.hdf5 file

Issue - State: closed - Opened by okunoyukihiro2 over 5 years ago - 1 comment

#5 - Fixing MoleculeGraph

Pull Request - State: closed - Opened by WardLT over 5 years ago - 11 comments

#4 - Python Files Missing in PyPi Distribution

Issue - State: closed - Opened by WardLT over 5 years ago - 1 comment

#2 - On the error for the prediction

Issue - State: closed - Opened by okunoyukihiro over 5 years ago - 3 comments

#1 - Refactoring suggestions

Issue - State: closed - Opened by shyuep almost 6 years ago - 1 comment