features.zip
__MACOSX
._features
178 Bytes
features
._.DS_Store
120 Bytes
._example_feature_generation
178 Bytes
._features_and_labels.csv
302 Bytes
example_feature_generation
._.DS_Store
120 Bytes
._RAC_getter.py
234 Bytes
._example_RAC_and_zeo_features.csv
302 Bytes
._example_cif_folder
178 Bytes
._example_feature_generation.py
234 Bytes
._feature_folders
178 Bytes
example_cif_folder
._HKUST-1.cif
234 Bytes
._UiO-66.cif
234 Bytes
._ZIF-8.cif
234 Bytes
feature_folders
._.DS_Store
120 Bytes
._HKUST-1
177 Bytes
._UiO-66
178 Bytes
._ZIF-8
178 Bytes
HKUST-1
._.DS_Store
120 Bytes
._RACs
178 Bytes
._cifs
178 Bytes
._merged_descriptors
177 Bytes
._zeo++
178 Bytes
RACs
._.DS_Store
120 Bytes
._HKUST-1.net
178 Bytes
._HKUST-1.xyz
178 Bytes
._RAC_getter_log.txt
178 Bytes
._lc_descriptors.csv
178 Bytes
._ligands
178 Bytes
._linker_descriptors.csv
178 Bytes
._linkers
178 Bytes
._logs
178 Bytes
._sbu_descriptors.csv
302 Bytes
._sbu_linker_bondlengths.txt
381 Bytes
._sbus
178 Bytes
._xyz
178 Bytes
linkers
._HKUST-1_connection_indices_linker_0.txt
381 Bytes
._HKUST-1_connection_indices_linker_1.txt
381 Bytes
._HKUST-1_connection_indices_linker_2.txt
381 Bytes
._HKUST-1_connection_indices_linker_3.txt
381 Bytes
._HKUST-1_connection_indices_linker_4.txt
381 Bytes
._HKUST-1_connection_indices_linker_5.txt
381 Bytes
._HKUST-1_connection_indices_linker_6.txt
381 Bytes
._HKUST-1_connection_indices_linker_7.txt
283 Bytes
._HKUST-1_linker_0.net
178 Bytes
._HKUST-1_linker_0.xyz
178 Bytes
._HKUST-1_linker_1.net
178 Bytes
._HKUST-1_linker_1.xyz
178 Bytes
._HKUST-1_linker_2.net
178 Bytes
._HKUST-1_linker_2.xyz
178 Bytes
._HKUST-1_linker_3.net
178 Bytes
._HKUST-1_linker_3.xyz
178 Bytes
._HKUST-1_linker_4.net
178 Bytes
._HKUST-1_linker_4.xyz
178 Bytes
._HKUST-1_linker_5.net
178 Bytes
._HKUST-1_linker_5.xyz
178 Bytes
._HKUST-1_linker_6.net
178 Bytes
._HKUST-1_linker_6.xyz
178 Bytes
._HKUST-1_linker_7.net
178 Bytes
._HKUST-1_linker_7.xyz
178 Bytes
logs
._HKUST-1.log
178 Bytes
sbus
._HKUST-1_connection_indices_sbu_0.txt
283 Bytes
._HKUST-1_connection_indices_sbu_1.txt
283 Bytes
._HKUST-1_connection_indices_sbu_2.txt
282 Bytes
._HKUST-1_connection_indices_sbu_3.txt
282 Bytes
._HKUST-1_connection_indices_sbu_4.txt
381 Bytes
._HKUST-1_connection_indices_sbu_5.txt
381 Bytes
._HKUST-1_sbu_0.net
178 Bytes
._HKUST-1_sbu_0.xyz
178 Bytes
._HKUST-1_sbu_0_with_linkers.xyz
178 Bytes
._HKUST-1_sbu_1.net
178 Bytes
._HKUST-1_sbu_1.xyz
178 Bytes
._HKUST-1_sbu_1_with_linkers.xyz
178 Bytes
._HKUST-1_sbu_2.net
178 Bytes
._HKUST-1_sbu_2.xyz
178 Bytes
._HKUST-1_sbu_2_with_linkers.xyz
178 Bytes
._HKUST-1_sbu_3.net
178 Bytes
._HKUST-1_sbu_3.xyz
178 Bytes
._HKUST-1_sbu_3_with_linkers.xyz
178 Bytes
._HKUST-1_sbu_4.net
178 Bytes
._HKUST-1_sbu_4.xyz
178 Bytes
._HKUST-1_sbu_4_with_linkers.xyz
178 Bytes
._HKUST-1_sbu_5.net
178 Bytes
._HKUST-1_sbu_5.xyz
178 Bytes
._HKUST-1_sbu_5_with_linkers.xyz
178 Bytes
merged_descriptors
._HKUST-1_descriptors.csv
178 Bytes
zeo++
._HKUST-1_pd.txt
282 Bytes
._HKUST-1_pov.txt
626 Bytes
._HKUST-1_sa.txt
282 Bytes
._geometric_parameters.csv
178 Bytes
UiO-66
._.DS_Store
120 Bytes
._RACs
178 Bytes
._cifs
178 Bytes
._merged_descriptors
178 Bytes
._zeo++
178 Bytes
RACs
._.DS_Store
120 Bytes
._RAC_getter_log.txt
178 Bytes
._UiO-66.net
178 Bytes
._UiO-66.xyz
178 Bytes
._lc_descriptors.csv
178 Bytes
._ligands
178 Bytes
._linker_descriptors.csv
178 Bytes
._linkers
178 Bytes
._logs
178 Bytes
._sbu_descriptors.csv
178 Bytes
._sbu_linker_bondlengths.txt
381 Bytes
._sbus
178 Bytes
._xyz
178 Bytes
ligands
._ambiguous.txt
381 Bytes
linkers
._UiO-66_connection_indices_linker_0.txt
381 Bytes
._UiO-66_connection_indices_linker_1.txt
381 Bytes
._UiO-66_connection_indices_linker_2.txt
381 Bytes
._UiO-66_connection_indices_linker_3.txt
381 Bytes
._UiO-66_connection_indices_linker_4.txt
381 Bytes
._UiO-66_connection_indices_linker_5.txt
381 Bytes
._UiO-66_linker_0.net
178 Bytes
._UiO-66_linker_0.xyz
178 Bytes
._UiO-66_linker_1.net
178 Bytes
._UiO-66_linker_1.xyz
178 Bytes
._UiO-66_linker_2.net
178 Bytes
._UiO-66_linker_2.xyz
178 Bytes
._UiO-66_linker_3.net
178 Bytes
._UiO-66_linker_3.xyz
178 Bytes
._UiO-66_linker_4.net
178 Bytes
._UiO-66_linker_4.xyz
178 Bytes
._UiO-66_linker_5.net
178 Bytes
._UiO-66_linker_5.xyz
178 Bytes
logs
._UiO-66.log
178 Bytes
sbus
._UiO-66_connection_indices_sbu_0.txt
283 Bytes
._UiO-66_sbu_0.net
177 Bytes
._UiO-66_sbu_0.xyz
178 Bytes
._UiO-66_sbu_0_with_linkers.xyz
234 Bytes
merged_descriptors
._UiO-66_descriptors.csv
177 Bytes
zeo++
._UiO-66_pd.txt
338 Bytes
._UiO-66_pov.txt
338 Bytes
._UiO-66_sa.txt
338 Bytes
._geometric_parameters.csv
178 Bytes
ZIF-8
._.DS_Store
120 Bytes
._RACs
177 Bytes
._cifs
178 Bytes
._merged_descriptors
178 Bytes
._zeo++
178 Bytes
RACs
._.DS_Store
120 Bytes
._RAC_getter_log.txt
178 Bytes
._ZIF-8.net
178 Bytes
._ZIF-8.xyz
178 Bytes
._lc_descriptors.csv
178 Bytes
._ligands
178 Bytes
._linker_descriptors.csv
178 Bytes
._linkers
178 Bytes
._logs
178 Bytes
._sbu_descriptors.csv
178 Bytes
._sbu_linker_bondlengths.txt
381 Bytes
._sbus
177 Bytes
._xyz
178 Bytes
linkers
._ZIF-8_connection_indices_linker_0.txt
381 Bytes
._ZIF-8_connection_indices_linker_1.txt
381 Bytes
._ZIF-8_connection_indices_linker_10.txt
381 Bytes
._ZIF-8_connection_indices_linker_11.txt
381 Bytes
._ZIF-8_connection_indices_linker_12.txt
381 Bytes
._ZIF-8_connection_indices_linker_13.txt
381 Bytes
._ZIF-8_connection_indices_linker_14.txt
381 Bytes
._ZIF-8_connection_indices_linker_15.txt
381 Bytes
._ZIF-8_connection_indices_linker_16.txt
381 Bytes
._ZIF-8_connection_indices_linker_17.txt
381 Bytes
._ZIF-8_connection_indices_linker_18.txt
381 Bytes
._ZIF-8_connection_indices_linker_19.txt
381 Bytes
._ZIF-8_connection_indices_linker_2.txt
381 Bytes
._ZIF-8_connection_indices_linker_20.txt
381 Bytes
._ZIF-8_connection_indices_linker_21.txt
381 Bytes
._ZIF-8_connection_indices_linker_22.txt
381 Bytes
._ZIF-8_connection_indices_linker_23.txt
381 Bytes
._ZIF-8_connection_indices_linker_3.txt
381 Bytes
._ZIF-8_connection_indices_linker_4.txt
381 Bytes
._ZIF-8_connection_indices_linker_5.txt
381 Bytes
._ZIF-8_connection_indices_linker_6.txt
381 Bytes
._ZIF-8_connection_indices_linker_7.txt
380 Bytes
._ZIF-8_connection_indices_linker_8.txt
381 Bytes
._ZIF-8_connection_indices_linker_9.txt
381 Bytes
._ZIF-8_linker_0.net
178 Bytes
._ZIF-8_linker_0.xyz
178 Bytes
._ZIF-8_linker_1.net
178 Bytes
._ZIF-8_linker_1.xyz
178 Bytes
._ZIF-8_linker_10.net
178 Bytes
._ZIF-8_linker_10.xyz
178 Bytes
._ZIF-8_linker_11.net
177 Bytes
._ZIF-8_linker_11.xyz
178 Bytes
._ZIF-8_linker_12.net
178 Bytes
._ZIF-8_linker_12.xyz
178 Bytes
._ZIF-8_linker_13.net
178 Bytes
._ZIF-8_linker_13.xyz
178 Bytes
._ZIF-8_linker_14.net
177 Bytes
._ZIF-8_linker_14.xyz
178 Bytes
._ZIF-8_linker_15.net
178 Bytes
._ZIF-8_linker_15.xyz
178 Bytes
._ZIF-8_linker_16.net
178 Bytes
._ZIF-8_linker_16.xyz
178 Bytes
._ZIF-8_linker_17.net
178 Bytes
._ZIF-8_linker_17.xyz
178 Bytes
._ZIF-8_linker_18.net
178 Bytes
._ZIF-8_linker_18.xyz
178 Bytes
._ZIF-8_linker_19.net
178 Bytes
._ZIF-8_linker_19.xyz
177 Bytes
._ZIF-8_linker_2.net
178 Bytes
._ZIF-8_linker_2.xyz
178 Bytes
._ZIF-8_linker_20.net
178 Bytes
._ZIF-8_linker_20.xyz
178 Bytes
._ZIF-8_linker_21.net
178 Bytes
._ZIF-8_linker_21.xyz
178 Bytes
._ZIF-8_linker_22.net
178 Bytes
._ZIF-8_linker_22.xyz
178 Bytes
._ZIF-8_linker_23.net
178 Bytes
._ZIF-8_linker_23.xyz
178 Bytes
._ZIF-8_linker_3.net
178 Bytes
._ZIF-8_linker_3.xyz
178 Bytes
._ZIF-8_linker_4.net
178 Bytes
._ZIF-8_linker_4.xyz
178 Bytes
._ZIF-8_linker_5.net
178 Bytes
._ZIF-8_linker_5.xyz
178 Bytes
._ZIF-8_linker_6.net
178 Bytes
._ZIF-8_linker_6.xyz
177 Bytes
._ZIF-8_linker_7.net
178 Bytes
._ZIF-8_linker_7.xyz
178 Bytes
._ZIF-8_linker_8.net
178 Bytes
._ZIF-8_linker_8.xyz
178 Bytes
._ZIF-8_linker_9.net
178 Bytes
._ZIF-8_linker_9.xyz
178 Bytes
._short_ligands.txt
282 Bytes
logs
._ZIF-8.log
178 Bytes
sbus
._ZIF-8_connection_indices_sbu_0.txt
381 Bytes
._ZIF-8_connection_indices_sbu_1.txt
380 Bytes
._ZIF-8_connection_indices_sbu_10.txt
381 Bytes
._ZIF-8_connection_indices_sbu_11.txt
381 Bytes
._ZIF-8_connection_indices_sbu_2.txt
381 Bytes
._ZIF-8_connection_indices_sbu_3.txt
381 Bytes
._ZIF-8_connection_indices_sbu_4.txt
381 Bytes
._ZIF-8_connection_indices_sbu_5.txt
381 Bytes
._ZIF-8_connection_indices_sbu_6.txt
381 Bytes
._ZIF-8_connection_indices_sbu_7.txt
381 Bytes
._ZIF-8_connection_indices_sbu_8.txt
381 Bytes
._ZIF-8_connection_indices_sbu_9.txt
380 Bytes
._ZIF-8_sbu_0.net
178 Bytes
._ZIF-8_sbu_0.xyz
178 Bytes
._ZIF-8_sbu_0_with_linkers.xyz
234 Bytes
._ZIF-8_sbu_1.net
178 Bytes
._ZIF-8_sbu_1.xyz
178 Bytes
._ZIF-8_sbu_10.net
178 Bytes
._ZIF-8_sbu_10.xyz
178 Bytes
._ZIF-8_sbu_10_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_11.net
178 Bytes
._ZIF-8_sbu_11.xyz
178 Bytes
._ZIF-8_sbu_11_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_1_with_linkers.xyz
177 Bytes
._ZIF-8_sbu_2.net
178 Bytes
._ZIF-8_sbu_2.xyz
178 Bytes
._ZIF-8_sbu_2_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_3.net
178 Bytes
._ZIF-8_sbu_3.xyz
178 Bytes
._ZIF-8_sbu_3_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_4.net
178 Bytes
._ZIF-8_sbu_4.xyz
178 Bytes
._ZIF-8_sbu_4_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_5.net
178 Bytes
._ZIF-8_sbu_5.xyz
178 Bytes
._ZIF-8_sbu_5_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_6.net
178 Bytes
._ZIF-8_sbu_6.xyz
178 Bytes
._ZIF-8_sbu_6_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_7.net
178 Bytes
._ZIF-8_sbu_7.xyz
178 Bytes
._ZIF-8_sbu_7_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_8.net
178 Bytes
._ZIF-8_sbu_8.xyz
177 Bytes
._ZIF-8_sbu_8_with_linkers.xyz
178 Bytes
._ZIF-8_sbu_9.net
178 Bytes
._ZIF-8_sbu_9.xyz
178 Bytes
._ZIF-8_sbu_9_with_linkers.xyz
178 Bytes
merged_descriptors
._ZIF-8_descriptors.csv
178 Bytes
zeo++
._ZIF-8_pd.txt
282 Bytes
._ZIF-8_pov.txt
282 Bytes
._ZIF-8_sa.txt
282 Bytes
._geometric_parameters.csv
178 Bytes
features
.DS_Store
10.2 kB
example_feature_generation
.DS_Store
6.1 kB
RAC_getter.py
1.2 kB
example_RAC_and_zeo_features.csv
6.9 kB
example_cif_folder
HKUST-1.cif
6.5 kB
UiO-66.cif
8.7 kB
ZIF-8.cif
12.1 kB
example_feature_generation.py
13.3 kB
feature_folders
.DS_Store
8.2 kB
HKUST-1
.DS_Store
6.1 kB
RACs
.DS_Store
6.1 kB
HKUST-1.net
49.0 kB
HKUST-1.xyz
5.5 kB
RAC_getter_log.txt
0 Bytes
lc_descriptors.csv
17.2 kB
ligands
linker_descriptors.csv
1.9 kB
linkers
HKUST-1_connection_indices_linker_0.txt
11 Bytes
HKUST-1_connection_indices_linker_1.txt
14 Bytes
HKUST-1_connection_indices_linker_2.txt
14 Bytes
HKUST-1_connection_indices_linker_3.txt
14 Bytes
HKUST-1_connection_indices_linker_4.txt
12 Bytes
HKUST-1_connection_indices_linker_5.txt
11 Bytes
HKUST-1_connection_indices_linker_6.txt
11 Bytes
HKUST-1_connection_indices_linker_7.txt
17 Bytes
HKUST-1_linker_0.net
686 Bytes
HKUST-1_linker_0.xyz
634 Bytes
HKUST-1_linker_1.net
686 Bytes
HKUST-1_linker_1.xyz
634 Bytes
HKUST-1_linker_2.net
686 Bytes
HKUST-1_linker_2.xyz
634 Bytes
HKUST-1_linker_3.net
686 Bytes
HKUST-1_linker_3.xyz
634 Bytes
HKUST-1_linker_4.net
686 Bytes
HKUST-1_linker_4.xyz
634 Bytes
HKUST-1_linker_5.net
686 Bytes
HKUST-1_linker_5.xyz
634 Bytes
HKUST-1_linker_6.net
686 Bytes
HKUST-1_linker_6.xyz
634 Bytes
HKUST-1_linker_7.net
686 Bytes
HKUST-1_linker_7.xyz
634 Bytes
logs
HKUST-1.log
966 Bytes
sbu_descriptors.csv
3.6 kB
sbu_linker_bondlengths.txt
169 Bytes
sbus
HKUST-1_connection_indices_sbu_0.txt
18 Bytes
HKUST-1_connection_indices_sbu_1.txt
16 Bytes
HKUST-1_connection_indices_sbu_2.txt
16 Bytes
HKUST-1_connection_indices_sbu_3.txt
16 Bytes
HKUST-1_connection_indices_sbu_4.txt
15 Bytes
HKUST-1_connection_indices_sbu_5.txt
15 Bytes
HKUST-1_sbu_0.net
424 Bytes
HKUST-1_sbu_0.xyz
496 Bytes
HKUST-1_sbu_0_with_linkers.xyz
2.3 kB
HKUST-1_sbu_1.net
424 Bytes
HKUST-1_sbu_1.xyz
496 Bytes
HKUST-1_sbu_1_with_linkers.xyz
2.5 kB
HKUST-1_sbu_2.net
424 Bytes
HKUST-1_sbu_2.xyz
496 Bytes
HKUST-1_sbu_2_with_linkers.xyz
2.4 kB
HKUST-1_sbu_3.net
424 Bytes
HKUST-1_sbu_3.xyz
496 Bytes
HKUST-1_sbu_3_with_linkers.xyz
2.5 kB
HKUST-1_sbu_4.net
424 Bytes
HKUST-1_sbu_4.xyz
496 Bytes
HKUST-1_sbu_4_with_linkers.xyz
2.4 kB
HKUST-1_sbu_5.net
424 Bytes
HKUST-1_sbu_5.xyz
496 Bytes
HKUST-1_sbu_5_with_linkers.xyz
2.5 kB
xyz
cifs
merged_descriptors
HKUST-1_descriptors.csv
3.8 kB
zeo++
HKUST-1_pd.txt
75 Bytes
HKUST-1_pov.txt
495 Bytes
HKUST-1_sa.txt
297 Bytes
geometric_parameters.csv
230 Bytes
UiO-66
.DS_Store
6.1 kB
RACs
.DS_Store
6.1 kB
RAC_getter_log.txt
0 Bytes
UiO-66.net
26.2 kB
UiO-66.xyz
4.0 kB
lc_descriptors.csv
5.2 kB
ligands
ambiguous.txt
468 Bytes
linker_descriptors.csv
1.4 kB
linkers
UiO-66_connection_indices_linker_0.txt
11 Bytes
UiO-66_connection_indices_linker_1.txt
11 Bytes
UiO-66_connection_indices_linker_2.txt
11 Bytes
UiO-66_connection_indices_linker_3.txt
7 Bytes
UiO-66_connection_indices_linker_4.txt
7 Bytes
UiO-66_connection_indices_linker_5.txt
7 Bytes
UiO-66_linker_0.net
546 Bytes
UiO-66_linker_0.xyz
564 Bytes
UiO-66_linker_1.net
546 Bytes
UiO-66_linker_1.xyz
564 Bytes
UiO-66_linker_2.net
546 Bytes
UiO-66_linker_2.xyz
564 Bytes
UiO-66_linker_3.net
546 Bytes
UiO-66_linker_3.xyz
564 Bytes
UiO-66_linker_4.net
546 Bytes
UiO-66_linker_4.xyz
564 Bytes
UiO-66_linker_5.net
546 Bytes
UiO-66_linker_5.xyz
564 Bytes
logs
UiO-66.log
527 Bytes
sbu_descriptors.csv
1.3 kB
sbu_linker_bondlengths.txt
169 Bytes
sbus
UiO-66_connection_indices_sbu_0.txt
65 Bytes
UiO-66_sbu_0.net
5.9 kB
UiO-66_sbu_0.xyz
1.9 kB
UiO-66_sbu_0_with_linkers.xyz
6.8 kB
xyz
cifs
merged_descriptors
UiO-66_descriptors.csv
3.9 kB
zeo++
UiO-66_pd.txt
71 Bytes
UiO-66_pov.txt
494 Bytes
UiO-66_sa.txt
297 Bytes
geometric_parameters.csv
226 Bytes
ZIF-8
.DS_Store
8.2 kB
RACs
.DS_Store
6.1 kB
RAC_getter_log.txt
0 Bytes
ZIF-8.net
165.3 kB
ZIF-8.xyz
10.1 kB
lc_descriptors.csv
30.3 kB
ligands
linker_descriptors.csv
4.1 kB
linkers
ZIF-8_connection_indices_linker_0.txt
3 Bytes
ZIF-8_connection_indices_linker_1.txt
3 Bytes
ZIF-8_connection_indices_linker_10.txt
3 Bytes
ZIF-8_connection_indices_linker_11.txt
3 Bytes
ZIF-8_connection_indices_linker_12.txt
4 Bytes
ZIF-8_connection_indices_linker_13.txt
3 Bytes
ZIF-8_connection_indices_linker_14.txt
4 Bytes
ZIF-8_connection_indices_linker_15.txt
3 Bytes
ZIF-8_connection_indices_linker_16.txt
3 Bytes
ZIF-8_connection_indices_linker_17.txt
3 Bytes
ZIF-8_connection_indices_linker_18.txt
3 Bytes
ZIF-8_connection_indices_linker_19.txt
3 Bytes
ZIF-8_connection_indices_linker_2.txt
3 Bytes
ZIF-8_connection_indices_linker_20.txt
3 Bytes
ZIF-8_connection_indices_linker_21.txt
3 Bytes
ZIF-8_connection_indices_linker_22.txt
3 Bytes
ZIF-8_connection_indices_linker_23.txt
3 Bytes
ZIF-8_connection_indices_linker_3.txt
3 Bytes
ZIF-8_connection_indices_linker_4.txt
3 Bytes
ZIF-8_connection_indices_linker_5.txt
3 Bytes
ZIF-8_connection_indices_linker_6.txt
3 Bytes
ZIF-8_connection_indices_linker_7.txt
3 Bytes
ZIF-8_connection_indices_linker_8.txt
3 Bytes
ZIF-8_connection_indices_linker_9.txt
3 Bytes
ZIF-8_linker_0.net
266 Bytes
ZIF-8_linker_0.xyz
389 Bytes
ZIF-8_linker_1.net
266 Bytes
ZIF-8_linker_1.xyz
389 Bytes
ZIF-8_linker_10.net
266 Bytes
ZIF-8_linker_10.xyz
389 Bytes
ZIF-8_linker_11.net
266 Bytes
ZIF-8_linker_11.xyz
389 Bytes
ZIF-8_linker_12.net
266 Bytes
ZIF-8_linker_12.xyz
389 Bytes
ZIF-8_linker_13.net
266 Bytes
ZIF-8_linker_13.xyz
389 Bytes
ZIF-8_linker_14.net
266 Bytes
ZIF-8_linker_14.xyz
389 Bytes
ZIF-8_linker_15.net
266 Bytes
ZIF-8_linker_15.xyz
389 Bytes
ZIF-8_linker_16.net
266 Bytes
ZIF-8_linker_16.xyz
389 Bytes
ZIF-8_linker_17.net
266 Bytes
ZIF-8_linker_17.xyz
389 Bytes
ZIF-8_linker_18.net
266 Bytes
ZIF-8_linker_18.xyz
389 Bytes
ZIF-8_linker_19.net
266 Bytes
ZIF-8_linker_19.xyz
389 Bytes
ZIF-8_linker_2.net
266 Bytes
ZIF-8_linker_2.xyz
389 Bytes
ZIF-8_linker_20.net
266 Bytes
ZIF-8_linker_20.xyz
389 Bytes
ZIF-8_linker_21.net
266 Bytes
ZIF-8_linker_21.xyz
389 Bytes
ZIF-8_linker_22.net
266 Bytes
ZIF-8_linker_22.xyz
389 Bytes
ZIF-8_linker_23.net
266 Bytes
ZIF-8_linker_23.xyz
389 Bytes
ZIF-8_linker_3.net
266 Bytes
ZIF-8_linker_3.xyz
389 Bytes
ZIF-8_linker_4.net
266 Bytes
ZIF-8_linker_4.xyz
389 Bytes
ZIF-8_linker_5.net
266 Bytes
ZIF-8_linker_5.xyz
389 Bytes
ZIF-8_linker_6.net
266 Bytes
ZIF-8_linker_6.xyz
389 Bytes
ZIF-8_linker_7.net
266 Bytes
ZIF-8_linker_7.xyz
389 Bytes
ZIF-8_linker_8.net
266 Bytes
ZIF-8_linker_8.xyz
389 Bytes
ZIF-8_linker_9.net
266 Bytes
ZIF-8_linker_9.xyz
389 Bytes
short_ligands.txt
60 Bytes
logs
ZIF-8.log
1.8 kB
sbu_descriptors.csv
8.8 kB
sbu_linker_bondlengths.txt
170 Bytes
sbus
ZIF-8_connection_indices_sbu_0.txt
7 Bytes
ZIF-8_connection_indices_sbu_1.txt
7 Bytes
ZIF-8_connection_indices_sbu_10.txt
9 Bytes
ZIF-8_connection_indices_sbu_11.txt
7 Bytes
ZIF-8_connection_indices_sbu_2.txt
8 Bytes
ZIF-8_connection_indices_sbu_3.txt
8 Bytes
ZIF-8_connection_indices_sbu_4.txt
9 Bytes
ZIF-8_connection_indices_sbu_5.txt
9 Bytes
ZIF-8_connection_indices_sbu_6.txt
9 Bytes
ZIF-8_connection_indices_sbu_7.txt
9 Bytes
ZIF-8_connection_indices_sbu_8.txt
7 Bytes
ZIF-8_connection_indices_sbu_9.txt
9 Bytes
ZIF-8_sbu_0.net
485 Bytes
ZIF-8_sbu_0.xyz
532 Bytes
ZIF-8_sbu_0_with_linkers.xyz
1.5 kB
ZIF-8_sbu_1.net
424 Bytes
ZIF-8_sbu_1.xyz
496 Bytes
ZIF-8_sbu_10.net
485 Bytes
ZIF-8_sbu_10.xyz
532 Bytes
ZIF-8_sbu_10_with_linkers.xyz
1.6 kB
ZIF-8_sbu_11.net
367 Bytes
ZIF-8_sbu_11.xyz
460 Bytes
ZIF-8_sbu_11_with_linkers.xyz
1.5 kB
ZIF-8_sbu_1_with_linkers.xyz
1.5 kB
ZIF-8_sbu_2.net
367 Bytes
ZIF-8_sbu_2.xyz
460 Bytes
ZIF-8_sbu_2_with_linkers.xyz
1.5 kB
ZIF-8_sbu_3.net
424 Bytes
ZIF-8_sbu_3.xyz
496 Bytes
ZIF-8_sbu_3_with_linkers.xyz
1.5 kB
ZIF-8_sbu_4.net
367 Bytes
ZIF-8_sbu_4.xyz
460 Bytes
ZIF-8_sbu_4_with_linkers.xyz
1.5 kB
ZIF-8_sbu_5.net
367 Bytes
ZIF-8_sbu_5.xyz
460 Bytes
ZIF-8_sbu_5_with_linkers.xyz
1.5 kB
ZIF-8_sbu_6.net
424 Bytes
ZIF-8_sbu_6.xyz
496 Bytes
ZIF-8_sbu_6_with_linkers.xyz
1.5 kB
ZIF-8_sbu_7.net
424 Bytes
ZIF-8_sbu_7.xyz
496 Bytes
ZIF-8_sbu_7_with_linkers.xyz
1.6 kB
ZIF-8_sbu_8.net
424 Bytes
ZIF-8_sbu_8.xyz
496 Bytes
ZIF-8_sbu_8_with_linkers.xyz
1.5 kB
ZIF-8_sbu_9.net
485 Bytes
ZIF-8_sbu_9.xyz
532 Bytes
ZIF-8_sbu_9_with_linkers.xyz
1.6 kB
xyz
cifs
merged_descriptors
ZIF-8_descriptors.csv
4.0 kB
zeo++
ZIF-8_pd.txt
71 Bytes
ZIF-8_pov.txt
492 Bytes
ZIF-8_sa.txt
294 Bytes
geometric_parameters.csv
228 Bytes
features_and_labels.csv
1.1 MB