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Browse files
README.md
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---
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dataset_info:
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features:
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- name: molecule_index
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dtype: string
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- name: smiles
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dtype: string
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- name: formula
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dtype: string
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- name: ir_image
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dtype: image
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- name: mass_image
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dtype: image
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- name: h-nmr_image
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dtype: image
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- name: c-nmr_image
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dtype: image
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- name: hsqc_image
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dtype: image
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splits:
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- name: train
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num_bytes: 16115287573.52
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num_examples: 100380
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download_size: 14793213490
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dataset_size: 16115287573.52
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configs:
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- config_name: default
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data_files:
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- split: train
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path: data/train-*
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---
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data/train-00000-of-00004.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:08aa6f386621bdab3a19a5daeaeb4562129c39994eaa3e769e692b0dae17236a
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size 3696419807
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data/train-00001-of-00004.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:d7b5896fb290c3ac8c6558c670093791c230cb28dfdcfdbdd653db9f1e973fa5
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size 3700101829
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data/train-00002-of-00004.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:b2aef7e7006efbe99377a9b57d8976c44df0e975a5f7049d6bae2a8b07ec21e1
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size 3697754423
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data/train-00003-of-00004.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:55d71e43f50ea0b74c7a74517eccb3a0b83d0da0c9d349ca7afb9d389881dab1
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size 3698937431
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