SummaryΒΆ
load_atoms
maintains a database of (named) datasets for ease of use.
These can be downloaded from the internet (and cached locally) using
load_dataset()
:
Elements |
# Atoms |
# Structures |
License |
Year |
|
---|---|---|---|---|---|
C |
30,000 |
150 |
2022 |
||
H, C, N, O |
6,763,288 |
489,571 |
2019 |
||
H, C, N, O |
75,700,481 |
4,956,005 |
2018 |
||
C |
284,965 |
4,530 |
2017 |
||
C |
400,275 |
6,088 |
2020 |
||
C |
23,041,200 |
115,206 |
2022 |
||
Ge, Sb, Te |
341,132 |
2,692 |
2022 |
||
P |
140,910 |
4,798 |
2020 |
||
H, C, N, O, S |
110,650 |
7,165 |
None |
2012 |
|
H, C, N, O, F |
2,407,753 |
133,885 |
2014 |
||
Si |
171,815 |
2,475 |
2018 |
||
O, Si |
268,118 |
3,074 |
2022 |
||
O, Si |
1,258,198 |
11,428 |
2024 |
||
H, C, N, O |
15,599,712 |
999,988 |
None |
2020 |