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Is there a way to accelerate IS2RS task optimization speed
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1
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455
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November 10, 2022
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Open Catalyst Challenge session @ NeurIPS 2022
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2
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506
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January 9, 2023
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CCAI - OCP Tutorial not being able to run
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0
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398
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January 5, 2023
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IS2RE Leaderboard Concerns
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3
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1086
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January 4, 2023
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Scaling Laws Meets Cost of Data
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0
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338
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December 20, 2022
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Open Catalyst Challenge session @ NeurIPS 2021
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1
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839
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November 29, 2022
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Unit of adsorption energies
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2
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424
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November 25, 2022
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Optionally download dataset
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3
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422
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November 20, 2022
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What is exactly out of domain in the OOD splits?
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1
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439
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October 12, 2022
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How to upload engineered descriptor derived dataset (.csv files), model (train, validation, test) scripts and associated scripts on evaluation server?
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4
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483
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October 7, 2022
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Open Catalyst 2022 (OC22) Dataset: Oxide Electrocatalysis
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5
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1226
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October 7, 2022
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Welcome to the discussion board!
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6
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857
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October 5, 2022
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OCPCalculator ASE
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4
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608
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September 30, 2022
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Open Catalyst challenge deadline in a month!
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5
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706
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September 28, 2022
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Calculate the stress-tensor of all the atoms
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2
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384
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September 28, 2022
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Which POTCARs are used in OC20?
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2
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520
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September 27, 2022
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Molecular Dynamics data
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1
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467
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September 13, 2022
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Batch_to_atoms error
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2
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398
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August 31, 2022
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How to construct ASE atoms object from LMDB dataset?
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5
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1060
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August 25, 2022
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Vasp parameters for OCP dataset generation
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5
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580
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August 15, 2022
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NeurIPS ‘21 Challenge Updates
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10
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1445
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September 27, 2021
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OC22 Discussion Zoom Session
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2
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657
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July 11, 2022
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Minimum Physics/Chemical/Material science knowledge
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2
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508
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June 27, 2022
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Bader charges and LOBSTER analyses on relaxed structures
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9
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1249
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June 21, 2022
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Molecular calculation with OCP-calculator
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3
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916
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June 3, 2022
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Updates on NeurIPS 22?
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3
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461
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May 30, 2022
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Interpreting IS2RE results (MAE, EwT)
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4
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517
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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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439
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May 16, 2022
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(No)oxides in database
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3
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534
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April 22, 2022
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Using adsorbate data to train models
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13
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930
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February 1, 2022
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