Add new chemml container to train models, and reuse model for prediction#114
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alesgenova wants to merge 1 commit intomasterfrom
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Add new chemml container to train models, and reuse model for prediction#114alesgenova wants to merge 1 commit intomasterfrom
alesgenova wants to merge 1 commit intomasterfrom
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cjh1
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Nov 22, 2021
| # # features = cm.represent(mols) | ||
| # # # y_pred = loaded_MLP.predict(X_test) | ||
| # y_pred = loaded_MLP.predict(fingerprints) | ||
| # print(loaded_MLP, y_pred) |
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