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Welcome to Discourse
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3
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464
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June 17, 2021
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Torch/nccl version dismatch
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1
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35
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September 13, 2021
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New GemNet-dT code, results, model weights
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7
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198
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September 11, 2021
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Customised dataset attribute
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7
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87
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September 4, 2021
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NeurIPS ‘21 Challenge Updates
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4
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186
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September 2, 2021
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CO adsorbate configurations
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1
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46
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August 31, 2021
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Will Spin-conv participate in this competition?
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1
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53
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August 27, 2021
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Can a team submit 2 solutions?
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1
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49
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August 27, 2021
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What is the final evaluation metric?
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3
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94
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August 26, 2021
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Opening LMDB files
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8
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86
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August 24, 2021
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Results for 4 splits
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2
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50
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August 23, 2021
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Will the competition data be in YAML or LMDB or other?
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1
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53
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August 17, 2021
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Bader charges and LOBSTER analyses on relaxed structures
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1
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65
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August 12, 2021
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Missing catalyst slab trajectories
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2
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80
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August 9, 2021
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Do we have to use one of the GNNs to get the descriptors?
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1
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70
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August 6, 2021
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IS2RE binding energy
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3
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212
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August 3, 2021
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IS2RE Table 4 Corrections
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6
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186
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July 27, 2021
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Running the relaxation with DFT
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7
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113
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July 21, 2021
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Why was CO2 not included as adsorbates?
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1
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100
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July 19, 2021
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On baseline models (SchNet, DimeNet, CGCNN)
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8
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615
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July 18, 2021
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IS2RE Leaderboard Concerns
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0
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276
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June 23, 2021
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How big is NeurIPS Challenge's Data going to be?
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1
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199
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June 17, 2021
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How many members can be in a team?
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1
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155
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June 18, 2021
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Neurips 2020's Competition timeline
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2
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186
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June 17, 2021
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Leaderboard ranking
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1
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146
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June 8, 2021
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Periodic boundary conditions with vacuum?
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4
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226
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May 25, 2021
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What is the uncertainty of the DFT data?
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1
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212
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April 16, 2021
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What's the training loss (as opposed to validation loss) like?
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2
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168
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April 7, 2021
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Setting up multi-GPUs in the notebook
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2
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178
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March 18, 2021
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Vasp input file
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2
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243
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March 2, 2021
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