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Matminer support has moved to Discourse:
https://discuss.
matsci.org/c/matminer
. All future questions should be posted on the Discourse forum.
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Huta Banjade
10/22/19
Q&A
What does the fingerprint_distance in robocrys suggest?
Dear experts, I did the following to get the fingerprint_distance between two structures using
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Q&A
What does the fingerprint_distance in robocrys suggest?
Dear experts, I did the following to get the fingerprint_distance between two structures using
10/22/19
Alex Ganose
10/8/19
Q&A
Moving matminer support to Discourse
Hello all matminer and automatminer users, Matminer support is moving from Google Groups to our new
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Q&A
Moving matminer support to Discourse
Hello all matminer and automatminer users, Matminer support is moving from Google Groups to our new
10/8/19
mm049...@gmail.com
,
Alex Dunn
2
10/8/19
Q&A
Why does my script halt unexpectantly? (+Loading issues) [Automatminer]
Hey there, We are actually moving off Google groups as a forum to discourse. I've reposted and
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Q&A
Why does my script halt unexpectantly? (+Loading issues) [Automatminer]
Hey there, We are actually moving off Google groups as a forum to discourse. I've reposted and
10/8/19
Arnab Kabiraj
,
Alexander Dunn
5
10/5/19
Q&A
automatminer crashes when using a 'saved' pipeline for prediction
Sure thing! And if you are still having issues with the columns (see my previous response, if they
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Q&A
automatminer crashes when using a 'saved' pipeline for prediction
Sure thing! And if you are still having issues with the columns (see my previous response, if they
10/5/19
Houssam Houssam
,
Alex Dunn
3
10/3/19
Q&A
Get properties of several elements
Hey Houssam, The MPDataRetrieval criteria argument takes the same arguments as the MPRester object
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Q&A
Get properties of several elements
Hey Houssam, The MPDataRetrieval criteria argument takes the same arguments as the MPRester object
10/3/19
Logan Ward
,
Hattrick-Simpers, Jason R. (Fed)
2
9/23/19
RE: Matminer Taken Down from Conda-Forge
Hey Logan, I used those commands in that order and kept getting an error. I had to install VSBuild
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RE: Matminer Taken Down from Conda-Forge
Hey Logan, I used those commands in that order and kept getting an error. I had to install VSBuild
9/23/19
Arnab Kabiraj
,
Alexander Dunn
3
9/13/19
Q&A
export and warm_start in automatminer
Note that for "Export", what I described will only export the TPOT ML part of the pipeline,
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Q&A
export and warm_start in automatminer
Note that for "Export", what I described will only export the TPOT ML part of the pipeline,
9/13/19
Phong Pham
, …
Logan Ward
3
9/13/19
Q&A
AverageBondAngle
Hello Phong, Sorry for the delay in replying to you. The average bond angle works with the following
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Q&A
AverageBondAngle
Hello Phong, Sorry for the delay in replying to you. The average bond angle works with the following
9/13/19
Ward, Logan
9/13/19
RE: Regarding StructuralHeterogeneity (structure featurizer function) of Matminer
Hello Hemanth, This error is a result of the difficulty in producing Voronoi diagrams for crystals,
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RE: Regarding StructuralHeterogeneity (structure featurizer function) of Matminer
Hello Hemanth, This error is a result of the difficulty in producing Voronoi diagrams for crystals,
9/13/19
genie
,
Logan Ward
3
8/30/19
Q&A
Radial Distribution Function
Partial Radial Distribution Function adds several descriptors as columns to dataframe(tensor). Radial
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Q&A
Radial Distribution Function
Partial Radial Distribution Function adds several descriptors as columns to dataframe(tensor). Radial
8/30/19
Huan Tran
,
Anubhav Jain
3
8/16/19
Q&A
featurize a specific POSCAR
Thank you, Anubhav. This is greatly helpful for us. Regards Huan On Fri, Aug 16, 2019 at 2:50 PM
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Q&A
featurize a specific POSCAR
Thank you, Anubhav. This is greatly helpful for us. Regards Huan On Fri, Aug 16, 2019 at 2:50 PM
8/16/19
camilofs
,
Logan Ward
3
8/12/19
Q&A
YangSolidSolution featurizer raising 'divide by zero encountered in double_scalars'
Hi Logan, I agree with the modification. A minimum enthalpy of 1e-06 will produce a better result
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Q&A
YangSolidSolution featurizer raising 'divide by zero encountered in double_scalars'
Hi Logan, I agree with the modification. A minimum enthalpy of 1e-06 will produce a better result
8/12/19
camilofs
, …
Qi Wang
7
8/8/19
Q&A
Miedema featurizer raising 'invalid value encountered in power'
Hi Camilo, Great to hear that. Thanks for reporting this issue and proposing suggestions for
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Q&A
Miedema featurizer raising 'invalid value encountered in power'
Hi Camilo, Great to hear that. Thanks for reporting this issue and proposing suggestions for
8/8/19
Emily
, …
Alexander Dunn
7
8/7/19
Q&A
Automatminer predicting on unknown data
Hey Emily, You can now use MatPipe predict without target. Pull the latest commits if you'd like
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Q&A
Automatminer predicting on unknown data
Hey Emily, You can now use MatPipe predict without target. Pull the latest commits if you'd like
8/7/19
lukas...@gmail.com
, …
Anubhav Jain
3
8/2/19
Q&A
Problem with Installing Matminer
I would install pymatgen first before installing matminer. The pymatgen docs has installation
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Q&A
Problem with Installing Matminer
I would install pymatgen first before installing matminer. The pymatgen docs has installation
8/2/19
Osmar
,
Alex Dunn
2
7/18/19
Q&A
Not define a reducer and cleaner method
Hey Osmar, Currently, no. This is a good issue I had not considered: The matpipe is just a way to
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Q&A
Not define a reducer and cleaner method
Hey Osmar, Currently, no. This is a good issue I had not considered: The matpipe is just a way to
7/18/19
Debasis Sengupta
,
Logan Ward
4
7/18/19
Q&A
Bulk modulus missing data
Yes, you can edit the “periodic_table.json” file associated with Pymatgen. See: https://github.com/
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Q&A
Bulk modulus missing data
Yes, you can edit the “periodic_table.json” file associated with Pymatgen. See: https://github.com/
7/18/19
Libin Wen
, …
Nahom Aymere
6
6/11/19
Q&A
cannot apply featurize_dataframe with VoronoiFingerprint, AverageBondLength or AverageBondAngle
Hi Logan, 1)Is there a documentation about these SiteStatsFingerprint.from_preset arguments such as
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Q&A
cannot apply featurize_dataframe with VoronoiFingerprint, AverageBondLength or AverageBondAngle
Hi Logan, 1)Is there a documentation about these SiteStatsFingerprint.from_preset arguments such as
6/11/19
Houssam Houssam
, …
Anubhav Jain
5
6/1/19
Q&A
KeyError: 'CITRINE_KEY issue
thanks Qi its working Le dimanche 2 juin 2019 00:27:08 UTC+1, Qi Wang a écrit : Hi Houssam, To
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Q&A
KeyError: 'CITRINE_KEY issue
thanks Qi its working Le dimanche 2 juin 2019 00:27:08 UTC+1, Qi Wang a écrit : Hi Houssam, To
6/1/19
Nahom Aymere
,
Logan Ward
3
5/29/19
Q&A
ElectronicRadialDistributionFunction
Hello, Oops, I don't know how I missed that Thanks logan On Wednesday, May 29, 2019 at 2:34:52 PM
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Q&A
ElectronicRadialDistributionFunction
Hello, Oops, I don't know how I missed that Thanks logan On Wednesday, May 29, 2019 at 2:34:52 PM
5/29/19
Nahom Aymere
, …
Alex Dunn
3
5/21/19
Q&A
ElectronegativityDiff featurizer not working for elastic_tensor data
Hi all, A more informative error would be my vote. We could also implement a precheck for this
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Q&A
ElectronegativityDiff featurizer not working for elastic_tensor data
Hi all, A more informative error would be my vote. We could also implement a precheck for this
5/21/19
Emily
,
Alexander Dunn
2
5/14/19
Q&A
Logging in automatminer with Windows
Hey thanks for letting us know! We will change this to support Windows as I don't believe it will
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Q&A
Logging in automatminer with Windows
Hey thanks for letting us know! We will change this to support Windows as I don't believe it will
5/14/19
Nahom Aymere
,
Anubhav Jain
3
5/14/19
Q&A
Predicting bulk modulus
Ah ok thank you for the clarification. On Tue, 14 May 2019, 17:43 Anubhav Jain, <AJ...@lbl.gov>
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Q&A
Predicting bulk modulus
Ah ok thank you for the clarification. On Tue, 14 May 2019, 17:43 Anubhav Jain, <AJ...@lbl.gov>
5/14/19
lc...@liverpool.ac.uk
, …
Anubhav Jain
5
5/10/19
Q&A
SOAP featurizer - 'str' object has no attribute 'composition'
Hi Linjiang I also just want to clarify that SOAP was implemented by the dscribe team (https://arxiv.
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Q&A
SOAP featurizer - 'str' object has no attribute 'composition'
Hi Linjiang I also just want to clarify that SOAP was implemented by the dscribe team (https://arxiv.
5/10/19
Emily
, …
Alexander Dunn
4
5/9/19
Q&A
Installing automatminer with Windows with Anaconda
Hey Emily, Thank you for reporting this bug. I will add a todo to update the xgboost version to 0.80
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Q&A
Installing automatminer with Windows with Anaconda
Hey Emily, Thank you for reporting this bug. I will add a todo to update the xgboost version to 0.80
5/9/19
debasis.se...@gmail.com
,
qwa...@lbl.gov
2
4/19/19
Q&A
Unit of Miedema features
Hi Debasis, The unit is eV/atom. Best, Qi On Friday, April 19, 2019 at 1:02:27 PM UTC-7, debasis.s...
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Q&A
Unit of Miedema features
Hi Debasis, The unit is eV/atom. Best, Qi On Friday, April 19, 2019 at 1:02:27 PM UTC-7, debasis.s...
4/19/19
debasis.se...@gmail.com
,
Logan Ward
3
4/18/19
Q&A
not using from_preset
Thank you! it works ! On Wednesday, April 17, 2019 at 6:08:11 PM UTC-4, debasis.s...@gmail.com wrote:
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Q&A
not using from_preset
Thank you! it works ! On Wednesday, April 17, 2019 at 6:08:11 PM UTC-4, debasis.s...@gmail.com wrote:
4/18/19
soksei...@gmail.com
,
Anubhav Jain
2
4/17/19
Q&A
EwaldSiteEnergy gives different answers whether an integer or a list is passed as argument
You should follow the docs and only put an integer as the argument, not a list. If you want the
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Q&A
EwaldSiteEnergy gives different answers whether an integer or a list is passed as argument
You should follow the docs and only put an integer as the argument, not a list. If you want the
4/17/19
debasis.se...@gmail.com
, …
ard...@lbl.gov
3
4/16/19
Q&A
Some Composition features not working
Hey Debasis, An addition to what Qi said: You can also add return_errors=True argument to the
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Q&A
Some Composition features not working
Hey Debasis, An addition to what Qi said: You can also add return_errors=True argument to the
4/16/19
debasis.se...@gmail.com
,
Logan Ward
7
4/11/19
Q&A
Composition based features
Logan, Ignore my immediate previous message (I forgot to generate "composition_oxid" before
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Q&A
Composition based features
Logan, Ignore my immediate previous message (I forgot to generate "composition_oxid" before
4/11/19