Issues
- 4
Torch probably needs to be less than 2.0
#70 opened by sgbaird - 3
Docs code not working properly
#72 opened by DavidSiretMarques - 1
Problem about processing the data
#71 opened by yqdleiyi - 0
Unit test for classification task
#64 opened by sgbaird - 0
Kernel crash in Jupyter notebook
#57 opened by sgbaird - 0
support scientific notation for chemical formulas
#43 opened by sgbaird - 3
FileNotFoundError: [Errno 2] when calling crabnet.utils.figures.element_prevalence
#40 opened by Pepe-Marquez - 0
- 0
During `crabnet.fit(...)`: `ValueError: Input contains NaN, infinity or a value too large for dtype('float64')`
#32 opened by sgbaird - 0
Noticed an issue in the documentation.
#24 opened by hasan-sayeed - 0
- 0
Incorporate CrabNet changes upstream
#18 opened by sgbaird - 2
Fictitious validation MAE (just same as training) when only training data is supplied
#3 opened by sgbaird - 0
Need to double check that the MAE using defaults (except `epochs=40`) hasn't changed for `matbench_expt_gap`
#13 opened by sgbaird - 0
- 0
Extend features functionality
#4 opened by sgbaird - 0
abstract away the chemistry-specific format and change to a formulation-type algorithm
#6 opened by sgbaird