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skinniderlab
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CLM
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nearest-neighbor Tc, ever vs. never generated
#217
skinnider
opened
4 days ago
0
Potential bug fixes with plots for nn_tc_ever_v_never/structural_prior_min_freq
#216
vineetbansal
opened
5 days ago
0
Box plot of tc between test-molecules and different models
#215
anushka255
closed
1 week ago
0
comparing nntc between train and test files
#214
anushka255
closed
1 week ago
0
Aa/sample all
#213
anushka255
closed
1 week ago
1
Optional review of plotting commands
#212
vineetbansal
opened
1 week ago
0
installation instructions
#211
skinnider
closed
2 weeks ago
1
Fixed topk_tc
#210
anushka255
closed
1 week ago
0
incorporating train dataset from individual tc_files to overall tc file
#209
anushka255
closed
1 week ago
1
Vb/docs start
#208
vineetbansal
closed
3 weeks ago
0
minor change to optimize tabulate molecules
#207
anushka255
closed
3 weeks ago
3
Updated readme
#206
anushka255
closed
3 weeks ago
0
updated data without changing code
#205
anushka255
closed
4 weeks ago
0
using csv module to parse lines in read_file
#204
vineetbansal
closed
4 weeks ago
0
Parsing SMILES in preprocess
#203
anushka255
closed
4 weeks ago
5
Plots for forecast
#202
anushka255
closed
1 week ago
3
Forecast ROC Curves
#201
vineetbansal
closed
2 weeks ago
0
added plots for minimum frequency
#200
anushka255
closed
1 week ago
1
an "all" bin for calculate_outcomes
#199
vineetbansal
closed
1 month ago
0
set_seed invocation
#198
vineetbansal
opened
1 month ago
0
Collapsed prep_nn_tc into write_nn_tc
#197
anushka255
closed
1 month ago
0
Update tests.yml
#196
vineetbansal
closed
1 month ago
0
collapsed prep_outcome_freq into calculate_outcomes
#195
anushka255
closed
1 month ago
0
top_n for tc_file
#194
vineetbansal
closed
1 month ago
0
collapsed write_outcome_distribution into calculate outcome distribution
#193
anushka255
closed
1 month ago
0
Added some model evaluation test cases
#192
anushka255
closed
1 month ago
0
Fixed some section of ever never plot
#191
anushka255
closed
1 week ago
0
Vb/snakemake conda
#190
vineetbansal
closed
1 month ago
0
Adding 'Tc' column to rank files
#189
anushka255
closed
1 month ago
1
Collapse prep/write steps in model evaluation
#188
vineetbansal
closed
2 weeks ago
1
added badges; main ci workflow renamed for more concise badge
#187
vineetbansal
closed
1 month ago
1
main blocks gone; unused module gone
#186
vineetbansal
closed
1 month ago
0
all mentions of inner gone in steps/commands
#185
vineetbansal
closed
1 month ago
0
added windows to CI matrix
#184
vineetbansal
closed
4 weeks ago
1
restructured folders for snakefiles
#183
vineetbansal
closed
1 month ago
0
not randomizing smiles for calc_outcomes step
#182
vineetbansal
closed
1 month ago
0
bug fix in help string
#181
vineetbansal
closed
1 month ago
0
Snakemake_model_eval
#180
vineetbansal
opened
1 month ago
0
TypeError on `--help`
#179
vineetbansal
closed
1 month ago
0
changes to snakemake README; snakemake can be run with zero configuration changes
#178
vineetbansal
closed
1 month ago
1
coverage stuff; main->master in other CI workflows
#177
vineetbansal
closed
1 month ago
0
bug fix in train_discriminator
#176
vineetbansal
closed
1 month ago
0
incorporating python hashseed in pyproject.toml
#175
anushka255
closed
1 month ago
1
Consider refactoring function
#174
vineetbansal
closed
1 week ago
0
Evaluating invalid and known smiles generated by the model
#173
anushka255
closed
1 month ago
2
min freq for process_tabulated and downstream steps
#172
vineetbansal
closed
1 month ago
0
Incorporating plots in snakemake model evaluation workflow
#171
anushka255
closed
1 month ago
0
tmp_path fixture in tests; fixed tiny bug in the process
#170
vineetbansal
closed
1 month ago
0
added append functionality to saving files in sample molecules RNN
#169
anushka255
closed
1 month ago
1
% novel/% valid
#168
skinnider
opened
1 month ago
1
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