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Bader charges and LOBSTER analyses on relaxed structures
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|
9
|
701
|
June 21, 2022
|
|
Molecular calculation with OCP-calculator
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3
|
430
|
June 3, 2022
|
|
Updates on NeurIPS 22?
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|
3
|
259
|
May 30, 2022
|
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Interpreting IS2RE results (MAE, EwT)
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4
|
279
|
May 17, 2022
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The size of preprocessed data compared to raw .xz files
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1
|
209
|
May 16, 2022
|
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(No)oxides in database
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3
|
303
|
April 22, 2022
|
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Adsorption energy
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2
|
515
|
March 12, 2022
|
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Using adsorbate data to train models
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13
|
525
|
February 1, 2022
|
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Interface of S2EF for LAMMPS
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|
1
|
488
|
January 21, 2022
|
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Data augmentation in ForceNet
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4
|
363
|
January 17, 2022
|
|
Open Catalyst Project @ NeurIPS Climate Change AI Workshop
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|
2
|
439
|
January 14, 2022
|
|
About the reference energy
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6
|
422
|
January 13, 2022
|
|
OCP Colab Tutorial
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|
1
|
394
|
January 11, 2022
|
|
Catalysts without adsorbents
|
|
3
|
423
|
January 11, 2022
|
|
Using our own data from Vasp with the OCP codebase
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|
4
|
368
|
December 14, 2021
|
|
Number of submissions to the leaderboard
|
|
1
|
343
|
December 8, 2021
|
|
New GemNet-dT code, results, model weights
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|
10
|
1122
|
December 7, 2021
|
|
Make adsorbate initial structures in CatKit
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|
1
|
413
|
November 9, 2021
|
|
Thanks to all Open Catalyst Challenge participants!
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|
2
|
446
|
October 22, 2021
|
|
NeurIPS '21 challenge set now available!
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|
3
|
510
|
October 5, 2021
|
|
Data mapping information for test challenge set
|
|
7
|
836
|
September 29, 2021
|
|
NeurIPS test-challenge metadata
|
|
1
|
400
|
September 29, 2021
|
|
Split of Test Challenge Data
|
|
7
|
811
|
September 28, 2021
|
|
The best one or the last one in the 10 submissions as the final result?
|
|
1
|
339
|
September 28, 2021
|
|
Torch/nccl version dismatch
|
|
1
|
344
|
September 13, 2021
|
|
Customised dataset attribute
|
|
7
|
529
|
September 4, 2021
|
|
CO adsorbate configurations
|
|
1
|
409
|
August 31, 2021
|
|
Will Spin-conv participate in this competition?
|
|
1
|
319
|
August 27, 2021
|
|
Can a team submit 2 solutions?
|
|
1
|
389
|
August 27, 2021
|
|
What is the final evaluation metric?
|
|
3
|
432
|
August 26, 2021
|