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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2 | 301 | January 15, 2024 |
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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 | 700 | January 11, 2022 |
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Welcome to Discourse
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3 | 1844 | June 17, 2021 |
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Interpretation of intermediate variables in equiformer_v2 model
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0 | 8 | April 16, 2024 |
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Problems encountered when reading LMDB files
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0 | 17 | April 13, 2024 |
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Construct a pkl file for new adsorbates?
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2 | 53 | April 8, 2024 |
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Questions about Data mapping information
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6 | 62 | April 2, 2024 |
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通过读取is2re的lmdb数据集
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3 | 340 | March 27, 2024 |
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Questions on available DFT data for training
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3 | 92 | March 9, 2024 |
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"Distances" attribute in OC20 dataset IS2RE task
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1 | 104 | March 6, 2024 |
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Extract Specific Structure Information from OC22
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5 | 149 | February 2, 2024 |
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Registry for trainer_name_mapping is empty
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0 | 88 | February 2, 2024 |
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Predictions of new oxide slabs
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2 | 125 | January 29, 2024 |
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Question about energy of OC20 dataset
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1 | 103 | January 25, 2024 |
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Fine-Tuning An IS2RE DPP model
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9 | 460 | January 23, 2024 |
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Failed to continue training with pretrained IS2RE DPP model
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1 | 166 | January 17, 2024 |
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Error with model: GemNetOC
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2 | 111 | January 12, 2024 |
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Using ocpapi and getting 504 Timeout error
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3 | 121 | January 2, 2024 |
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Information on charges and electrons in the OC22 dataset
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1 | 153 | December 22, 2023 |
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Reference energies for OC22
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1 | 178 | December 22, 2023 |
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Pretrained OCP models
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8 | 501 | November 27, 2023 |
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Ocpapi - high number of predictions
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2 | 211 | November 20, 2023 |
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LmdbDataset has no attribute "data"
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6 | 142 | November 17, 2023 |
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Create OC22lmdbdataset by using OUTCAR（relaxation）
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3 | 174 | November 14, 2023 |
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OC22 Adsorption Site Information
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1 | 186 | November 14, 2023 |
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OCP Leaderboard Results Usage
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1 | 146 | November 14, 2023 |
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OC22 structures from lmdb
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2 | 181 | November 8, 2023 |
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Question about size of OC20 dataset
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1 | 222 | November 7, 2023 |
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Using our own data from Vasp with the OCP codebase
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5 | 713 | November 7, 2023 |
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Submission Guideline
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1 | 208 | October 10, 2023 |