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skinniderlab
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CLM
MIT License
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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
2 weeks 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
2 months 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
2 months ago
0
added append functionality to saving files in sample molecules RNN
#169
anushka255
closed
2 months ago
1
% novel/% valid
#168
skinnider
opened
2 months ago
1
forecast command
#167
vineetbansal
closed
2 months ago
0
storing file paths in config.json
#166
anushka255
closed
2 months ago
0
some improvements to write_nn_tc test
#165
vineetbansal
closed
2 months ago
0
print CLM version in use before any command invocation
#164
vineetbansal
closed
2 months ago
0
experimenting with codecov app
#163
vineetbansal
closed
2 months ago
1
discriminator model with higher enum factors
#162
skinnider
closed
1 month ago
1
weighted sampling in evaluation code
#161
skinnider
opened
2 months ago
0
indexing range fix with several calculate_outcomes metrics
#160
vineetbansal
closed
2 months ago
0
support for gz files throughout the pipeline; more tests
#159
vineetbansal
closed
2 months ago
1
add_carbon step does not support compression
#158
vineetbansal
closed
13 hours ago
0
Verify Correct File Usage in Test Cases
#157
anushka255
opened
2 months ago
0
added missing test_data file
#156
vineetbansal
closed
2 months ago
0
regenerated all test_data using the latest code (on t15p)
#155
vineetbansal
closed
2 months ago
0
Issue 132
#154
anushka255
closed
2 months ago
0
Issue 153
#153
anushka255
closed
2 months ago
0
Updated topk to plot for carbon and other small changes
#152
anushka255
closed
2 months ago
0
using deterministic add_carbon step
#151
vineetbansal
closed
2 months ago
0
changes based on discussion on issue 140
#150
vineetbansal
closed
2 months ago
0
Introducing plot for nn_tc (ever vs never generated)
#149
anushka255
closed
2 months ago
0
Introducing plot for top-k accuracy, by minimum tc
#148
anushka255
closed
2 months ago
0
Added custom snakemake profile
#147
anushka255
opened
2 months ago
0
addressing issues 140/141
#146
vineetbansal
closed
2 months ago
0
Issue 126 (Calculate outcomes tweak)
#145
anushka255
closed
2 months ago
0
addressing issue 142
#144
vineetbansal
closed
2 months ago
0
Addressing some of the test cases mentioned in #Issue 131
#143
anushka255
closed
2 months ago
1
Bug introduced in collect-tabulated-molecules
#142
vineetbansal
closed
2 months ago
1
Should use train0 and test0 here
#141
vineetbansal
closed
2 months ago
2
We should be using train0 here
#140
vineetbansal
closed
2 months ago
6
minor refactorings for train_discriminator
#139
vineetbansal
closed
2 months ago
0
Potential bug in write_structural_prior
#138
anushka255
closed
2 months ago
1
Updated train discriminator to have same number of train and sampled smiles
#137
anushka255
closed
2 months ago
0
Integrating data generated after implementing inchikey
#136
anushka255
closed
2 months ago
0
Generated new files after implementation of inchikey
#135
anushka255
closed
2 months ago
0
Vb/docs
#134
vineetbansal
closed
2 months ago
0
support for inchikeys (issue #131); test data not updated yet
#133
vineetbansal
closed
2 months ago
1
compress outputs
#132
skinnider
closed
2 months ago
0
compare by inchikey, not canonical smiles
#131
skinnider
opened
3 months ago
6
some optimizations for the freq_dist plot
#130
vineetbansal
closed
2 months ago
0
Fingerprints in the CLM package
#129
skinnider
opened
3 months ago
0
sample_seed
#128
vineetbansal
closed
3 months ago
0
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