Uncategorized
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Open Catalyst Intro Series
We’re excited to announce the Open Catalyst Intro Series! Want to learn more about how we can help mitigate climate change through advances in AI and chemistry? We’re creating a video series to help AI researchers get up… |
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1 | 40 | November 14, 2023 |
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OCP Colab Tutorial
Hi All, As part of our recent NeurIPS 2021 Climate Change AI Workshop submission, we’ve released a more comprehensive, interactive google colab notebook here to accompany our other notebooks here. The notebook is design… |
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1 | 613 | January 11, 2022 |
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Welcome to Discourse
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3 | 1689 | June 17, 2021 |
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Pretrained OCP models
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8 | 224 | November 27, 2023 |
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Ocpapi - high number of predictions
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2 | 112 | November 20, 2023 |
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LmdbDataset has no attribute "data"
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6 | 27 | November 17, 2023 |
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Create OC22lmdbdataset by using OUTCAR（relaxation）
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3 | 53 | November 14, 2023 |
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OC22 Adsorption Site Information
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1 | 37 | November 14, 2023 |
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OCP Leaderboard Results Usage
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1 | 35 | November 14, 2023 |
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OC22 structures from lmdb
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2 | 48 | November 8, 2023 |
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Question about size of OC20 dataset
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1 | 107 | November 7, 2023 |
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Using our own data from Vasp with the OCP codebase
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5 | 574 | November 7, 2023 |
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Submission Guideline
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1 | 124 | October 10, 2023 |
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3rd Open Catalyst Challenge @ NeurIPS 2023
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16 | 1253 | October 10, 2023 |
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The magnetic moments of the Fe, Co, and Ni systems？
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1 | 114 | October 4, 2023 |
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Missing edge index information
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3 | 134 | September 27, 2023 |
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Maximum force for geometry relaxation
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1 | 125 | September 22, 2023 |
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OC20-Dense LMDB with relaxed positions
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5 | 121 | September 19, 2023 |
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Error with environment setting
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1 | 113 | September 19, 2023 |
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Test Split True Energies
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1 | 120 | September 15, 2023 |
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About the error "'GlobalStorage' object has no attribute 'y_relaxed'"
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1 | 136 | September 14, 2023 |
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Relaxed positions from OC20-Dense IS2RE lmdb files
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2 | 124 | September 14, 2023 |
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Creating Own Pickle file for screened Catalysts
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3 | 140 | September 13, 2023 |
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Using My Own Data-ASE-Readable Files-POSCAR
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7 | 168 | September 13, 2023 |
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Will the test dataset also include metadata?
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3 | 125 | September 11, 2023 |
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Run S2EF with-all equiformerV2 with error "pickle environment"
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0 | 101 | September 11, 2023 |
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Scale factor error - Using the IS2RE gemet model -
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2 | 135 | September 10, 2023 |
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Which dataset can be used for challenge?
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1 | 160 | August 31, 2023 |
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Converting LMDB to ASE object
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5 | 200 | August 31, 2023 |
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Adsorption energy
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11 | 1154 | August 29, 2023 |