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Open Catalyst Challenge session @ NeurIPS 2021
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1
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714
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November 29, 2022
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Unit of adsorption energies
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2
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320
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November 25, 2022
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Optionally download dataset
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3
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305
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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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310
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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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326
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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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880
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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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685
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October 5, 2022
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OCPCalculator ASE
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4
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383
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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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570
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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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278
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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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336
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September 27, 2022
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Molecular Dynamics data
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1
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359
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September 13, 2022
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Batch_to_atoms error
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2
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299
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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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794
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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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424
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August 15, 2022
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NeurIPS ‘21 Challenge Updates
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10
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1261
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September 27, 2021
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OC22 Discussion Zoom Session
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2
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546
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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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420
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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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1027
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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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680
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June 3, 2022
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Updates on NeurIPS 22?
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3
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376
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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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414
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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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352
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May 16, 2022
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(No)oxides in database
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3
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435
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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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755
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February 1, 2022
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Data augmentation in ForceNet
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4
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556
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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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613
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January 14, 2022
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About the reference energy
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6
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617
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January 13, 2022
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OCP Colab Tutorial
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1
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613
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January 11, 2022
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Catalysts without adsorbents
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3
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625
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January 11, 2022
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