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3rd Open Catalyst Challenge @ NeurIPS 2023
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16
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1622
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October 10, 2023
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The magnetic moments of the Fe, Co, and Ni systems？
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1
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206
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October 4, 2023
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Missing edge index information
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3
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245
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September 27, 2023
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Maximum force for geometry relaxation
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1
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216
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September 22, 2023
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OC20-Dense LMDB with relaxed positions
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5
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220
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September 19, 2023
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Error with environment setting
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1
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223
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September 19, 2023
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Test Split True Energies
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1
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205
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September 15, 2023
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About the error "'GlobalStorage' object has no attribute 'y_relaxed'"
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1
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231
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September 14, 2023
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Relaxed positions from OC20-Dense IS2RE lmdb files
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2
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217
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September 14, 2023
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Creating Own Pickle file for screened Catalysts
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3
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256
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September 13, 2023
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Using My Own Data-ASE-Readable Files-POSCAR
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7
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283
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September 13, 2023
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Will the test dataset also include metadata?
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3
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217
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September 11, 2023
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Run S2EF with-all equiformerV2 with error "pickle environment"
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0
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184
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September 11, 2023
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Scale factor error - Using the IS2RE gemet model -
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2
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223
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September 10, 2023
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Which dataset can be used for challenge?
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1
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278
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August 31, 2023
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Converting LMDB to ASE object
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5
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306
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August 31, 2023
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Adsorption energy
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11
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1411
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August 29, 2023
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Calculation of Adsorbtion energies under applied potential
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0
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273
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August 10, 2023
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Reading LMDB files: field interpretations
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0
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318
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August 6, 2023
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How to translate the dataset to OCP format and fit it on S2EF Task
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0
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237
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August 6, 2023
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How to calculate adsorption energy using OCPCalculator.
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2
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375
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August 4, 2023
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Predicting adsorption energy
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0
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260
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August 3, 2023
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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?
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0
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242
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August 3, 2023
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Which elements used to build OC20?
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5
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331
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August 3, 2023
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2nd Open Catalyst Challenge @ NeurIPS 2022
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27
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1716
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July 27, 2023
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Prediction of adsorption energies for oxide materials
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0
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259
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July 27, 2023
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OC20 S2EF 200K Training Errors
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2
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486
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July 22, 2023
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RuntimeError: Failed to find the model 'gemnet_t'
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1
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227
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July 19, 2023
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Lmdb转换：什么格式可以转换成lmdb
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1
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383
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July 18, 2023
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Calculating Adsorbtion and relaxation energies of Aqueos state Catalysis
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2
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306
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July 12, 2023
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