metadata
dataset_info:
features:
- name: pos
sequence:
sequence: float32
- name: atomic_numbers
sequence: int64
- name: mu
dtype: float32
- name: alpha
dtype: float32
- name: eps_HOMO
dtype: float32
- name: eps_LUMO
dtype: float32
- name: delta_eps
dtype: float32
- name: R_2_Abs
dtype: float32
- name: ZPVE
dtype: float32
- name: U_0
dtype: float32
- name: U
dtype: float32
- name: H
dtype: float32
- name: G
dtype: float32
- name: c_v
dtype: float32
- name: U_0_ATOM
dtype: float32
- name: U_ATOM
dtype: float32
- name: H_ATOM
dtype: float32
- name: G_ATOM
dtype: float32
- name: A
dtype: float32
- name: B
dtype: float32
- name: C
dtype: float32
- name: tags
sequence: int64
- name: natoms
dtype: int64
- name: id
dtype: string
- name: composition
sequence: int64
splits:
- name: train
num_bytes: 182603296
num_examples: 110831
- name: val
num_bytes: 16467028
num_examples: 10000
- name: test
num_bytes: 16444596
num_examples: 10000
download_size: 48643213
dataset_size: 215514920
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: val
path: data/val-*
- split: test
path: data/test-*