haydn-jones/SmilodonUnif
收藏Hugging Face2025-11-15 更新2025-12-20 收录
下载链接：
https://hf-mirror.com/datasets/haydn-jones/SmilodonUnif
下载链接
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资源简介：
---
dataset_info:
features:
- name: SMILES
dtype: large_string
- name: qed
dtype: float32
- name: SPS
dtype: float32
- name: MolWt
dtype: float32
- name: BalabanJ
dtype: float32
- name: TPSA
dtype: float32
- name: FractionCSP3
dtype: float32
- name: HeavyAtomCount
dtype: int32
- name: NumAromaticRings
dtype: int32
- name: NumHAcceptors
dtype: int32
- name: NumHDonors
dtype: int32
- name: NumRotatableBonds
dtype: int32
- name: RingCount
dtype: int32
- name: MolLogP
dtype: float32
- name: MolMR
dtype: float32
splits:
- name: train
num_bytes: 781759815
num_examples: 5070990
- name: val
num_bytes: 97749770
num_examples: 633873
- name: test
num_bytes: 97687825
num_examples: 633875
download_size: 513919386
dataset_size: 977197410
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: val
path: data/val-*
- split: test
path: data/test-*
---
提供机构：
haydn-jones
