|
Minimum Physics/Chemical/Material science knowledge
|
|
2
|
509
|
June 27, 2022
|
|
Bader charges and LOBSTER analyses on relaxed structures
|
|
9
|
1260
|
June 21, 2022
|
|
Molecular calculation with OCP-calculator
|
|
3
|
935
|
June 3, 2022
|
|
Updates on NeurIPS 22?
|
|
3
|
462
|
May 30, 2022
|
|
Interpreting IS2RE results (MAE, EwT)
|
|
4
|
518
|
May 17, 2022
|
|
The size of preprocessed data compared to raw .xz files
|
|
1
|
440
|
May 16, 2022
|
|
(No)oxides in database
|
|
3
|
538
|
April 22, 2022
|
|
Using adsorbate data to train models
|
|
13
|
947
|
February 1, 2022
|
|
Data augmentation in ForceNet
|
|
4
|
700
|
January 17, 2022
|
|
Open Catalyst Project @ NeurIPS Climate Change AI Workshop
|
|
2
|
760
|
January 14, 2022
|
|
Catalysts without adsorbents
|
|
3
|
779
|
January 11, 2022
|
|
Number of submissions to the leaderboard
|
|
1
|
571
|
December 8, 2021
|
|
New GemNet-dT code, results, model weights
|
|
10
|
1986
|
December 7, 2021
|
|
Make adsorbate initial structures in CatKit
|
|
1
|
687
|
November 9, 2021
|
|
Thanks to all Open Catalyst Challenge participants!
|
|
2
|
723
|
October 22, 2021
|
|
NeurIPS '21 challenge set now available!
|
|
3
|
791
|
October 5, 2021
|
|
Data mapping information for test challenge set
|
|
7
|
1548
|
September 29, 2021
|
|
NeurIPS test-challenge metadata
|
|
1
|
643
|
September 29, 2021
|
|
Split of Test Challenge Data
|
|
7
|
1525
|
September 28, 2021
|
|
The best one or the last one in the 10 submissions as the final result?
|
|
1
|
563
|
September 28, 2021
|
|
Customised dataset attribute
|
|
7
|
870
|
September 4, 2021
|
|
CO adsorbate configurations
|
|
1
|
666
|
August 31, 2021
|
|
Will Spin-conv participate in this competition?
|
|
1
|
521
|
August 27, 2021
|
|
Can a team submit 2 solutions?
|
|
1
|
584
|
August 27, 2021
|
|
What is the final evaluation metric?
|
|
3
|
641
|
August 26, 2021
|
|
Results for 4 splits
|
|
2
|
791
|
August 23, 2021
|
|
Will the competition data be in YAML or LMDB or other?
|
|
1
|
490
|
August 17, 2021
|
|
Missing catalyst slab trajectories
|
|
2
|
578
|
August 9, 2021
|
|
Do we have to use one of the GNNs to get the descriptors?
|
|
1
|
578
|
August 6, 2021
|
|
IS2RE binding energy
|
|
3
|
815
|
August 3, 2021
|