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sparks-baird
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CrabNet
Predict materials properties using only the composition information!
https://crabnet.readthedocs.io/
MIT License
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CrabNet cannot be installed on higher versions of Python
#78
tankylz
opened
1 month ago
0
changed get_sym_dict() to handle scientific notation in chemical formula
#77
kyledmiller
opened
2 months ago
1
fixed erroneous indent in save function
#76
kyledmiller
closed
2 months ago
1
Indentation typo in save_network
#75
kyledmiller
closed
2 months ago
0
Docs code not working properly
#72
DavidSiretMarques
opened
1 year ago
3
Problem about processing the data
#71
yqdleiyi
opened
1 year ago
1
Torch probably needs to be less than 2.0
#70
sgbaird
opened
1 year ago
4
Bump myst-parser from 0.15.2 to 1.0.0
#69
dependabot[bot]
opened
1 year ago
0
Bump tqdm from 4.63.0 to 4.65.0
#68
dependabot[bot]
opened
1 year ago
0
Bump myst-parser from 0.15.2 to 0.19.1
#67
dependabot[bot]
closed
1 year ago
1
Bump matplotlib from 3.5.1 to 3.7.1
#66
dependabot[bot]
opened
1 year ago
0
Bump matplotlib from 3.5.1 to 3.7.0
#65
dependabot[bot]
closed
1 year ago
1
Unit test for classification task
#64
sgbaird
opened
1 year ago
0
fix: do not always set classification to false
#63
kjappelbaum
closed
1 year ago
1
Bump pandas from 1.4.1 to 1.5.3
#62
dependabot[bot]
opened
1 year ago
0
Bump sphinx from 4.2.0 to 6.1.3
#61
dependabot[bot]
opened
1 year ago
0
Bump matplotlib from 3.5.1 to 3.6.3
#60
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 4.2.0 to 6.1.2
#59
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 4.2.0 to 6.0.0
#58
dependabot[bot]
closed
1 year ago
1
Kernel crash in Jupyter notebook
#57
sgbaird
opened
1 year ago
0
Bump pandas from 1.4.1 to 1.5.2
#56
dependabot[bot]
closed
1 year ago
1
Bump matplotlib from 3.5.1 to 3.6.2
#55
dependabot[bot]
closed
1 year ago
1
Bump pandas from 1.4.1 to 1.5.1
#54
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 4.4.0 to 5.3.0
#53
dependabot[bot]
closed
1 year ago
1
Bump matplotlib from 3.5.1 to 3.6.1
#52
dependabot[bot]
closed
2 years ago
1
Bump sphinx from 4.4.0 to 5.2.3
#51
dependabot[bot]
closed
2 years ago
1
Bump myst-parser from 0.17.0 to 0.18.1
#50
dependabot[bot]
closed
1 year ago
1
Bump sphinx from 4.4.0 to 5.2.1
#49
dependabot[bot]
closed
2 years ago
1
Bump pandas from 1.4.1 to 1.5.0
#48
dependabot[bot]
closed
2 years ago
1
Bump matplotlib from 3.5.1 to 3.6.0
#47
dependabot[bot]
closed
2 years ago
1
Bump pandas from 1.4.1 to 1.4.4
#46
dependabot[bot]
closed
2 years ago
1
Bump tqdm from 4.63.0 to 4.64.1
#45
dependabot[bot]
closed
1 year ago
1
Bump matplotlib from 3.5.1 to 3.5.3
#44
dependabot[bot]
closed
2 years ago
1
support scientific notation for chemical formulas
#43
sgbaird
opened
2 years ago
1
Bump sphinx from 4.4.0 to 5.1.1
#42
dependabot[bot]
closed
2 years ago
1
Bump sphinx from 4.4.0 to 5.1.0
#41
dependabot[bot]
closed
2 years ago
1
FileNotFoundError: [Errno 2] when calling crabnet.utils.figures.element_prevalence
#40
Pepe-Marquez
opened
2 years ago
3
`test_df` should be able to have only `formula` column (no target)
#39
sgbaird
opened
2 years ago
0
Ver bump
#38
sgbaird
closed
2 years ago
0
Ver bump
#37
sgbaird
closed
2 years ago
0
comment the pytest section in manual conda publish
#36
sgbaird
closed
2 years ago
0
ValueError if NaNs in training data and fixup nan_to_num usage
#35
sgbaird
closed
2 years ago
0
Bump pandas from 1.4.1 to 1.4.3
#34
dependabot[bot]
closed
2 years ago
1
during loss curve stats, check for nans and replace with mean if found, issue warning
#33
sgbaird
closed
2 years ago
0
During `crabnet.fit(...)`: `ValueError: Input contains NaN, infinity or a value too large for dtype('float64')`
#32
sgbaird
closed
2 years ago
0
Bump sphinx from 4.4.0 to 5.0.2
#31
dependabot[bot]
closed
2 years ago
1
Bump myst-parser from 0.17.0 to 0.18.0
#30
dependabot[bot]
closed
2 years ago
1
improve data instructions
#29
sgbaird
closed
2 years ago
0
Bump sphinx from 4.4.0 to 5.0.1
#28
dependabot[bot]
closed
2 years ago
1
Bump sphinx from 4.4.0 to 5.0.0
#27
dependabot[bot]
closed
2 years ago
1
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