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Data augmentation in ForceNet
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|
4
|
299
|
January 17, 2022
|
|
Open Catalyst Project @ NeurIPS Climate Change AI Workshop
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|
2
|
396
|
January 14, 2022
|
|
About the reference energy
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6
|
350
|
January 13, 2022
|
|
OCP Colab Tutorial
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|
1
|
332
|
January 11, 2022
|
|
Catalysts without adsorbents
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|
3
|
349
|
January 11, 2022
|
|
Using our own data from Vasp with the OCP codebase
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|
4
|
306
|
December 14, 2021
|
|
Number of submissions to the leaderboard
|
|
1
|
292
|
December 8, 2021
|
|
New GemNet-dT code, results, model weights
|
|
10
|
1000
|
December 7, 2021
|
|
Open Catalyst Challenge session @ NeurIPS
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|
0
|
380
|
November 30, 2021
|
|
Make adsorbate initial structures in CatKit
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|
1
|
340
|
November 9, 2021
|
|
Thanks to all Open Catalyst Challenge participants!
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|
2
|
401
|
October 22, 2021
|
|
NeurIPS '21 challenge set now available!
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|
3
|
462
|
October 5, 2021
|
|
Data mapping information for test challenge set
|
|
7
|
722
|
September 29, 2021
|
|
NeurIPS test-challenge metadata
|
|
1
|
348
|
September 29, 2021
|
|
Split of Test Challenge Data
|
|
7
|
671
|
September 28, 2021
|
|
The best one or the last one in the 10 submissions as the final result?
|
|
1
|
297
|
September 28, 2021
|
|
Torch/nccl version dismatch
|
|
1
|
297
|
September 13, 2021
|
|
Customised dataset attribute
|
|
7
|
471
|
September 4, 2021
|
|
CO adsorbate configurations
|
|
1
|
358
|
August 31, 2021
|
|
Will Spin-conv participate in this competition?
|
|
1
|
283
|
August 27, 2021
|
|
Can a team submit 2 solutions?
|
|
1
|
346
|
August 27, 2021
|
|
What is the final evaluation metric?
|
|
3
|
392
|
August 26, 2021
|
|
Opening LMDB files
|
|
8
|
597
|
August 24, 2021
|
|
Results for 4 splits
|
|
2
|
378
|
August 23, 2021
|
|
Will the competition data be in YAML or LMDB or other?
|
|
1
|
247
|
August 17, 2021
|
|
Missing catalyst slab trajectories
|
|
2
|
320
|
August 9, 2021
|
|
Do we have to use one of the GNNs to get the descriptors?
|
|
1
|
284
|
August 6, 2021
|
|
IS2RE binding energy
|
|
3
|
500
|
August 3, 2021
|
|
IS2RE Table 4 Corrections
|
|
6
|
545
|
July 27, 2021
|
|
Running the relaxation with DFT
|
|
7
|
489
|
July 21, 2021
|