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sustainable-processes
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ORDerly
Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
MIT License
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Fix gh action
#168
dswigh
closed
1 month ago
1
Fix condition prediction tests
#167
dswigh
opened
1 month ago
0
Fix poetry
#166
dswigh
closed
1 month ago
0
Revert to previous poetry lock
#165
dswigh
closed
1 month ago
0
[Sweep GHA Fix] The GitHub Actions run failed on 41ab787 (main) with the following error logs: ``` ```
#164
sweep-ai[bot]
closed
6 months ago
0
[Sweep GHA Fix] The GitHub Actions run failed on 41ab787 (main) with the following error logs: ``` ```
#163
sweep-ai[bot]
closed
6 months ago
0
Deterministic random drop duplicates
#162
dswigh
closed
6 months ago
3
[Sweep GHA Fix] Fix failing GitHub Actions run
#161
sweep-ai[bot]
closed
6 months ago
2
[Sweep GHA Fix] The GitHub Actions run failed with...
#160
sweep-ai[bot]
closed
6 months ago
0
[Sweep GHA Fix] Fix failing GitHub Actions run
#159
sweep-ai[bot]
closed
6 months ago
2
Change inconsistent yield
#158
dswigh
closed
6 months ago
0
Fix plots
#157
dswigh
closed
6 months ago
0
Fix orderly condition
#156
dswigh
closed
6 months ago
1
Keep index
#155
dswigh
closed
6 months ago
3
Fixing dependencies
#154
dswigh
closed
12 months ago
0
Fix imports and setup.py
#153
dswigh
closed
12 months ago
0
comment out the imports in __init__.py
#152
dswigh
closed
12 months ago
0
Fix typos and update defaults
#151
dswigh
closed
1 year ago
1
adding the ord download to the package
#150
Joearrowsmith
closed
1 year ago
0
adding the benchmark download
#149
Joearrowsmith
closed
1 year ago
0
Sweep: Keep track of index of reactions in dataframe
#148
marcosfelt
closed
1 year ago
10
Add pytest split
#147
marcosfelt
closed
1 year ago
1
Inspect datasets
#146
dswigh
closed
1 year ago
1
del unused commands in makefile
#145
dswigh
closed
1 year ago
1
Publish code
#144
dswigh
closed
1 year ago
1
Upgrade figures
#143
dswigh
closed
1 year ago
1
keep track of df index
#142
dswigh
closed
1 month ago
1
Create CLI to download ORD datasets from figshare
#141
marcosfelt
closed
1 year ago
0
Create figures for the SI
#140
marcosfelt
closed
1 year ago
2
Bump test timeout
#139
marcosfelt
closed
1 year ago
0
Test set intersect
#138
dswigh
closed
1 year ago
1
Fix hardcoding in get_group_scores_top_n
#137
dswigh
closed
1 year ago
0
Only test remove_inconsistent_yields once
#136
dswigh
opened
1 year ago
0
Run paper table
#135
marcosfelt
closed
1 year ago
1
del repeated tests
#134
dswigh
closed
1 year ago
1
Add random seed to the CLI
#133
marcosfelt
closed
1 year ago
0
Combination top 3 accuracy
#132
dswigh
closed
1 year ago
1
Teacher force
#131
marcosfelt
closed
1 year ago
0
Update onehotencoder
#130
marcosfelt
closed
1 year ago
1
trust labelling dataset finalised
#129
dswigh
closed
1 year ago
1
Get training working
#128
marcosfelt
closed
1 year ago
0
Extract all reactions at start
#127
dswigh
closed
1 year ago
0
Add reduce lr on plateau
#126
marcosfelt
closed
1 year ago
0
Update gitignore
#125
marcosfelt
closed
1 year ago
0
Log accuracy of frequency informed guess
#124
marcosfelt
closed
1 year ago
0
Verbosity option
#123
marcosfelt
closed
1 year ago
0
Better data generator
#122
marcosfelt
closed
1 year ago
0
Fix drop duplicates
#121
dswigh
closed
1 year ago
0
Fix rxn time type
#120
dswigh
closed
1 year ago
0
fix makefile extract/clean dual call
#119
dswigh
closed
1 year ago
0
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