|
Data augmentation in ForceNet
|
|
4
|
700
|
January 17, 2022
|
|
Open Catalyst Project @ NeurIPS Climate Change AI Workshop
|
|
2
|
757
|
January 14, 2022
|
|
About the reference energy
|
|
6
|
799
|
January 13, 2022
|
|
OCP Colab Tutorial
|
|
1
|
804
|
January 11, 2022
|
|
Catalysts without adsorbents
|
|
3
|
775
|
January 11, 2022
|
|
Number of submissions to the leaderboard
|
|
1
|
570
|
December 8, 2021
|
|
New GemNet-dT code, results, model weights
|
|
10
|
1960
|
December 7, 2021
|
|
Make adsorbate initial structures in CatKit
|
|
1
|
682
|
November 9, 2021
|
|
Thanks to all Open Catalyst Challenge participants!
|
|
2
|
723
|
October 22, 2021
|
|
NeurIPS '21 challenge set now available!
|
|
3
|
789
|
October 5, 2021
|
|
Data mapping information for test challenge set
|
|
7
|
1544
|
September 29, 2021
|
|
NeurIPS test-challenge metadata
|
|
1
|
641
|
September 29, 2021
|
|
Split of Test Challenge Data
|
|
7
|
1524
|
September 28, 2021
|
|
The best one or the last one in the 10 submissions as the final result?
|
|
1
|
562
|
September 28, 2021
|
|
Customised dataset attribute
|
|
7
|
868
|
September 4, 2021
|
|
CO adsorbate configurations
|
|
1
|
665
|
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
|
640
|
August 26, 2021
|
|
Results for 4 splits
|
|
2
|
790
|
August 23, 2021
|
|
Will the competition data be in YAML or LMDB or other?
|
|
1
|
490
|
August 17, 2021
|
|
Missing catalyst slab trajectories
|
|
2
|
573
|
August 9, 2021
|
|
Do we have to use one of the GNNs to get the descriptors?
|
|
1
|
576
|
August 6, 2021
|
|
IS2RE binding energy
|
|
3
|
813
|
August 3, 2021
|
|
IS2RE Table 4 Corrections
|
|
6
|
900
|
July 27, 2021
|
|
Running the relaxation with DFT
|
|
7
|
988
|
July 21, 2021
|
|
Why was CO2 not included as adsorbates?
|
|
1
|
645
|
July 19, 2021
|
|
On baseline models (SchNet, DimeNet, CGCNN)
|
|
8
|
2093
|
July 18, 2021
|
|
How big is NeurIPS Challenge's Data going to be?
|
|
1
|
699
|
June 17, 2021
|
|
How many members can be in a team?
|
|
1
|
608
|
June 18, 2021
|