Added new API support for nextgen Materials Project #692
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* update tensorboard logdir in tutorials 2 and 3 and formatting in 5 * minor tutorial fixes
* [bug/qm7x_groupsplit] Adding GroupSplit to the exported names for splitting.py bc it was missing and causing import errors in qm7x dataset * [bug/qm7x_groupsplit] Fixing black fmt error
* update tensorboard logdir in tutorials 2 and 3 and formatting in 5 * minor tutorial fixes * import GroupSplit for QM7X * add progressbar dependency * add progressbar dependency * add qm7x data config file
builder.docx
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What is this file?
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What is changed in this notebook? Is it on purpose?
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no, It was not mine
| @@ -103,12 +105,20 @@ def __init__( | |||
| distance_unit=distance_unit, | |||
| **kwargs, | |||
| ) | |||
| if len(apikey) != 16: | |||
| """if len(apikey) != 16: | |||
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this can be removed
| @@ -120,6 +130,8 @@ def prepare_data(self): | |||
| MaterialsProject.EPerAtom: "eV", | |||
| MaterialsProject.BandGap: "eV", | |||
| MaterialsProject.TotalMagnetization: "None", | |||
| MaterialsProject.MaterialId: "None", | |||
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Adding this to property unit dict is not needed, because we store the metadata in the key_value_pairs and not in data. So these 2 lines can be removed
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Initiallly, when I was getting some key error on material_id which resolved by doing this. let me test again after removing this. Then I will update
| MaterialsProject.BandGap: q.band_gap, | ||
| } | ||
| ) | ||
| # todo: use key-value-pairs or not? |
| ) | ||
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| for q in query: | ||
| # if ( |
| ) | ||
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| with MPRester(self.apikey) as m: | ||
| # for N in range(1, 9): |
g the commit merge master into sa/bugfixes
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