|
Reading LMDB files: field interpretations
|
|
0
|
186
|
August 6, 2023
|
|
How to translate the dataset to OCP format and fit it on S2EF Task
|
|
0
|
158
|
August 6, 2023
|
|
How to calculate adsorption energy using OCPCalculator.
|
|
2
|
222
|
August 4, 2023
|
|
Predicting adsorption energy
|
|
0
|
152
|
August 3, 2023
|
|
OC20 and OC22 。The two data sets contain different attributes. Why is this Wae Ireoni? Or, what are the differences and connections between the two datasets?
|
|
0
|
155
|
August 3, 2023
|
|
Which elements used to build OC20?
|
|
5
|
247
|
August 3, 2023
|
|
2nd Open Catalyst Challenge @ NeurIPS 2022
|
|
27
|
1472
|
July 27, 2023
|
|
Prediction of adsorption energies for oxide materials
|
|
0
|
146
|
July 27, 2023
|
|
OC20 S2EF 200K Training Errors
|
|
2
|
379
|
July 22, 2023
|
|
Fine-Tuning An IS2RE DPP model
|
|
4
|
202
|
July 20, 2023
|
|
RuntimeError: Failed to find the model 'gemnet_t'
|
|
1
|
126
|
July 19, 2023
|
|
Lmdb转换：什么格式可以转换成lmdb
|
|
1
|
262
|
July 18, 2023
|
|
Calculating Adsorbtion and relaxation energies of Aqueos state Catalysis
|
|
2
|
204
|
July 12, 2023
|
|
Opening LMDB files
|
|
11
|
1713
|
July 12, 2023
|
|
OC22 dft-configurations
|
|
0
|
177
|
July 3, 2023
|
|
Constraints in OC22 trajectories dataset
|
|
1
|
194
|
June 29, 2023
|
|
Torch/nccl version dismatch
|
|
4
|
562
|
June 26, 2023
|
|
Interface of S2EF for LAMMPS
|
|
3
|
882
|
May 25, 2023
|
|
怎么使用多GPU训练GemNet模型
|
|
0
|
200
|
May 22, 2023
|
|
About calculating stress
|
|
0
|
241
|
May 10, 2023
|
|
通过读取is2re的lmdb数据集
|
|
2
|
226
|
April 22, 2023
|
|
Nosé–Hoover MD calculation by OCPcalculator
|
|
1
|
342
|
February 27, 2023
|
|
Unable to avoid below error
|
|
2
|
279
|
February 25, 2023
|
|
Help for a new scientist
|
|
1
|
373
|
February 8, 2023
|
|
EvalAI Submissions stuck on "Running"
|
|
1
|
257
|
January 23, 2023
|
|
Is there a way to accelerate IS2RS task optimization speed
|
|
1
|
328
|
November 10, 2022
|
|
Open Catalyst Challenge session @ NeurIPS 2022
|
|
2
|
399
|
January 9, 2023
|
|
CCAI - OCP Tutorial not being able to run
|
|
0
|
279
|
January 5, 2023
|
|
IS2RE Leaderboard Concerns
|
|
3
|
967
|
January 4, 2023
|
|
Scaling Laws Meets Cost of Data
|
|
0
|
247
|
December 20, 2022
|