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Add links to NNP data in ice paper README #38

Merged
merged 1 commit into from
Dec 13, 2023
Merged

Add links to NNP data in ice paper README #38

merged 1 commit into from
Dec 13, 2023

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NikoOinonen
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Closes #16

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Coverage

Coverage Report
FileStmtsMissCoverMissing
mlspm
   __init__.py10100% 
   _weights.py221532%34–53
   cli.py420100% 
   data_loading.py1571491%142–143, 171–174, 183, 283–286, 296–298
   datasets.py54540%1–89
   logging.py2435079%54, 62, 66, 69, 72–102, 119, 121–124, 128, 131, 136, 147, 150, 153, 191, 210, 213, 221, 226, 229, 235, 264, 266, 269–273, 286, 362, 381, 391–393
   losses.py10100% 
   models.py20100% 
   modules.py100694%37, 190, 194–197, 213
   preprocessing.py1013961%42–45, 106–116, 130–159, 170–174
   utils.py1774773%79–81, 84–85, 96–110, 135, 157, 165–168, 182, 186, 190–198, 223, 263, 270, 307–308, 313, 350–355, 365
   visualization.py57296%32, 94
mlspm/_c
   __init__.py00100% 
   bindings.py703254%42–78, 90–126
mlspm/_cuda
   __init__.py00100% 
   bindings.py28280%1–45
mlspm/graph
   __init__.py40100% 
   _analysis.py329199%476
   _data_loading.py230100% 
   _molecule_graph.py150597%40–41, 65–66, 219
   _utils.py1875770%94–128, 160, 169–171, 220, 264–301, 350–351, 433, 440
   _visualization.py1771492%41, 44, 52–58, 76, 99, 137, 232, 259
   losses.py29197%66
   models.py2455478%16, 19–24, 30–33, 267–288, 353, 420–421, 505, 542, 589–591, 637–647, 670–732
TOTAL219941981% 

Tests Skipped Failures Errors Time
37 0 💤 0 ❌ 0 🔥 25.344s ⏱️

@NikoOinonen NikoOinonen merged commit 0eba5b4 into main Dec 13, 2023
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@NikoOinonen NikoOinonen deleted the nnp-data branch December 13, 2023 16:33
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Ice paper NNP scripts and data
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