ai4chems/tilingtopoml-ssl-mofs

---
dataset_info:
features:
- name: Structure
dtype: large_string
- name: Topology
dtype: large_string
- name: Linker ID
dtype: int64
- name: Maximum Coordination Number
dtype: int64
- name: Shear Modulus (GPa)
dtype: float64
- name: Bulk Modulus (Gpa)
dtype: float64
- name: Void Fraction
dtype: float64
- name: Volumetric Surface Area (m2/cm3)
dtype: int64
- name: Gravimetric Surface Area (m2/g)
dtype: int64
- name: PLD
dtype: float64
- name: LCD
dtype: float64
- name: Average Coordination Number
dtype: float64
- name: Unit Cell Volume (A3)
dtype: float64
- name: Linker 1
dtype: int64
- name: Linker 2
dtype: int64
- name: Linker 3
dtype: int64
- name: Linker 4
dtype: int64
- name: Linker 5
dtype: int64
- name: Linker 6
dtype: int64
- name: Linker 7
dtype: int64
- name: Linker 8
dtype: int64
- name: Linker 9
dtype: int64
- name: Linker 10
dtype: int64
- name: Linker 11
dtype: int64
- name: Linker 12
dtype: int64
- name: Linker 13
dtype: int64
- name: Linker 14
dtype: int64
- name: topo_acs
dtype: int64
- name: topo_bcs
dtype: int64
- name: topo_bct
dtype: int64
- name: topo_bcu
dtype: int64
- name: topo_bor
dtype: int64
- name: topo_crs
dtype: int64
- name: topo_csq
dtype: int64
- name: topo_ctn
dtype: int64
- name: topo_dia
dtype: int64
- name: topo_fcu
dtype: int64
- name: topo_flu
dtype: int64
- name: topo_ftw
dtype: int64
- name: topo_gar
dtype: int64
- name: topo_iac
dtype: int64
- name: topo_ith
dtype: int64
- name: topo_lcs
dtype: int64
- name: topo_lvt
dtype: int64
- name: topo_nbo
dtype: int64
- name: topo_nia
dtype: int64
- name: topo_ocu
dtype: int64
- name: topo_pcu
dtype: int64
- name: topo_pth
dtype: int64
- name: topo_pto
dtype: int64
- name: topo_pts
dtype: int64
- name: topo_pyr
dtype: int64
- name: topo_qtz
dtype: int64
- name: topo_reo
dtype: int64
- name: topo_rhr
dtype: int64
- name: topo_rht
dtype: int64
- name: topo_scu
dtype: int64
- name: topo_she
dtype: int64
- name: topo_soc
dtype: int64
- name: topo_sod
dtype: int64
- name: topo_spn
dtype: int64
- name: topo_srs
dtype: int64
- name: topo_ssa
dtype: int64
- name: topo_ssb
dtype: int64
- name: topo_stp
dtype: int64
- name: topo_tbo
dtype: int64
- name: topo_the
dtype: int64
- name: topo_tpt
dtype: int64
- name: crystal_chemfile
dtype: large_string
splits:
- name: train
num_bytes: 237291704
num_examples: 2517
download_size: 88223198
dataset_size: 237291704
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---