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melloddy
/
SparseChem
Fast and accurate machine learning models for biochemical applications.
MIT License
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Metrics bug fixed for regression
#15
adamgld
closed
19 hours ago
0
Update dependencies
#14
adamgld
closed
1 day ago
0
Bump torch from 1.8.1 to 2.2.0
#13
dependabot[bot]
closed
19 hours ago
1
Custom metrics printing + calibration metrics
#12
adamgld
closed
1 year ago
0
Make convert 0.9.5 to 0.9.6 script more robust
#11
molden
closed
1 year ago
2
Adding calibration error to the evaluation metric
#10
hannahrosafriesacher
closed
1 year ago
0
retrain.py not compatible with current code / federated models?
#9
NJSturm
opened
1 year ago
1
5 predict inverse normalization
#8
molden
closed
1 year ago
0
Multiple folds as validation or test
#7
wheyndri
opened
1 year ago
0
implementing trunk embeddings option when predicting
#6
molden
closed
2 years ago
0
predict.py does not perform inverse normalization when no Y is supplied
#5
das22
closed
1 year ago
5
Predicting last_hidden
#4
wheyndri
closed
2 years ago
4
Added support to change the optimizer (Adam, SGD)
#3
adamgld
closed
2 years ago
0
created -m option for sparsechem.train, sparsechem.predict
#2
molden
closed
2 years ago
0
Python-level performance improvements in Dataset
#1
muellren
closed
4 years ago
1