OCP10k
收藏DataCite Commons2025-06-01 更新2024-08-18 收录
下载链接：
https://figshare.com/articles/dataset/OCP10k/22817633/1
下载链接
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资源简介：
OCP 10 dataset https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md#is2re-models <br> from jarvis.core.atoms import Atoms from jarvis.core.specie import atomic_numbers_to_symbols from ocpmodels.datasets import SinglePointLmdbDataset from jarvis.db.jsonutils import dumpjson from collections import defaultdict # dataset = SinglePointLmdbDataset({"src": "/wrk/knc6/oc/ocp/data/is2re/10k/train/data.lmdb"}) train = SinglePointLmdbDataset( {"src": "ocp/data/is2re/10k/train/data.lmdb"} ) val = SinglePointLmdbDataset( {"src": "ocp/data/is2re/all/val_id/data.lmdb"} ) test = SinglePointLmdbDataset( {"src": "ocp/data/is2re/all/test_id/data.lmdb"} ) print("n_train=", len(train)) print("n_val=", len(val)) print("n_test=", len(test)) <br>
提供机构：
figshare
创建时间：
2023-05-14
