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Welcome to Discourse
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3
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815
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June 17, 2021
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Interpreting IS2RE results (MAE, EwT)
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4
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33
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May 17, 2022
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How to construct ASE atoms object from LMDB dataset?
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1
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13
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May 17, 2022
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The size of preprocessed data compared to raw .xz files
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1
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15
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May 16, 2022
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Molecular calculation with OCP-calculator
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2
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68
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April 28, 2022
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(No)oxides in database
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3
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68
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April 22, 2022
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Adsorption energy
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2
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124
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March 12, 2022
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Bader charges and LOBSTER analyses on relaxed structures
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3
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266
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March 11, 2022
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Using adsorbate data to train models
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13
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211
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February 1, 2022
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Interface of S2EF for LAMMPS
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1
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214
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January 21, 2022
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Data augmentation in ForceNet
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4
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157
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January 17, 2022
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Open Catalyst Project @ NeurIPS Climate Change AI Workshop
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2
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231
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January 14, 2022
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About the reference energy
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6
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169
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January 13, 2022
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OCP Colab Tutorial
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1
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161
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January 11, 2022
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Catalysts without adsorbents
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3
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175
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January 11, 2022
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Using our own data from Vasp with the OCP codebase
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4
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187
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December 14, 2021
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Number of submissions to the leaderboard
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1
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152
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December 8, 2021
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New GemNet-dT code, results, model weights
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10
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719
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December 7, 2021
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Open Catalyst Challenge session @ NeurIPS
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0
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183
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November 30, 2021
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Make adsorbate initial structures in CatKit
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1
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215
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November 9, 2021
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Thanks to all Open Catalyst Challenge participants!
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2
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291
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October 22, 2021
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NeurIPS '21 challenge set now available!
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3
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339
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October 5, 2021
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Data mapping information for test challenge set
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7
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464
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September 29, 2021
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NeurIPS test-challenge metadata
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1
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226
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September 29, 2021
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Split of Test Challenge Data
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7
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438
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September 28, 2021
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The best one or the last one in the 10 submissions as the final result?
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1
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200
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September 28, 2021
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NeurIPS ‘21 Challenge Updates
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10
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629
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September 27, 2021
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Torch/nccl version dismatch
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1
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216
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September 13, 2021
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Customised dataset attribute
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7
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291
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September 4, 2021
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CO adsorbate configurations
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1
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249
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August 31, 2021
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