genetic_algorithm.zip
__MACOSX
._genetic_algorithm
178 Bytes
genetic_algorithm
._.DS_Store
120 Bytes
._1_fragmenter.py
334 Bytes
._2_fragment_collection.py
233 Bytes
._3_building_block_name_conversion.py
234 Bytes
._4_compatible_pormake_nets.py
234 Bytes
._5_end_to_end_runner.py
234 Bytes
._MOF_genetic_algo.py
233 Bytes
._README
646 Bytes
._building_block_information
178 Bytes
._building_blocks
178 Bytes
._conda_environment_information
178 Bytes
._fitness_func
268 Bytes
._most_fit_GA_MOFs.csv
302 Bytes
._pormake_construct.py
234 Bytes
building_block_information
._README
1.1 kB
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402 Bytes
._inorganic_nodes.csv
302 Bytes
._organic_edges.csv
302 Bytes
._organic_nodes.csv
302 Bytes
._rmsd.csv
302 Bytes
building_blocks
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conda_environment_information
._README
234 Bytes
._environment_MOFSimplify.yml
334 Bytes
._environment_plotting_env.yml
234 Bytes
._environment_pormake_env.yml
234 Bytes
fitness_func
._.DS_Store
120 Bytes
._README
489 Bytes
._auxiliary_scripts
178 Bytes
._feature_generation.py
234 Bytes
._fitness_calc_1.py
334 Bytes
._fitness_calc_2.py
334 Bytes
._models
178 Bytes
auxiliary_scripts
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120 Bytes
._RAC_calculation.py
234 Bytes
models
._.DS_Store
120 Bytes
._README
385 Bytes
._acid_model.pkl
178 Bytes
._acid_scaler.pkl
178 Bytes
._final_model_flag_few_epochs.h5
178 Bytes
._solvent_scaler.pkl
178 Bytes
._water_model.pkl
178 Bytes
._water_scaler.pkl
178 Bytes
genetic_algorithm
.DS_Store
14.3 kB
1_fragmenter.py
1.8 kB
2_fragment_collection.py
7.2 kB
3_building_block_name_conversion.py
1.9 kB
4_compatible_pormake_nets.py
10.5 kB
5_end_to_end_runner.py
9.6 kB
MOF_genetic_algo.py
14.3 kB
README
286 Bytes
building_block_information
README
260 Bytes
disordered_building_blocks.csv
176 Bytes
inorganic_nodes.csv
15.4 kB
organic_edges.csv
6.6 kB
organic_nodes.csv
4.5 kB
rmsd.csv
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building_blocks
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conda_environment_information
README
109 Bytes
environment_MOFSimplify.yml
8.4 kB
environment_plotting_env.yml
3.9 kB
environment_pormake_env.yml
4.3 kB
fitness_func
.DS_Store
10.2 kB
README
324 Bytes
auxiliary_scripts
.DS_Store
6.1 kB
RAC_calculation.py
984 Bytes
feature_generation.py
16.5 kB
fitness_calc_1.py
4.1 kB
fitness_calc_2.py
1.9 kB
models
.DS_Store
6.1 kB
README
62 Bytes
acid_model.pkl
390.1 kB
acid_scaler.pkl
632 Bytes
final_model_flag_few_epochs.h5
1.9 MB
solvent_scaler.pkl
4.0 kB
water_model.pkl
2.5 MB
water_scaler.pkl
728 Bytes
most_fit_GA_MOFs.csv
43.5 kB
pormake_construct.py
2.0 kB