add n_tasks and n_samples (251ec7e8) · Commits · 钟慕尧 / deepchem

README.md

+17 −17

Original line number	Diff line number	Diff line
		@@ -203,23 +203,23 @@ passed a ``Featurizer`` object. ``deepchem`` provides a number of
		different subclasses of ``Featurizer`` for convenience:

		### Performances
		\|Dataset \|Model \|Train score/ROC-AUC\|Valid score/ROC-AUC\|Time(loading)/s \|Time(running)/s\|
		\|-----------\|--------------------\|-------------------\|-------------------\|----------------\|---------------\|
		\|tox21 \|logistic regression \|0.910 \|0.759 \|30 \|30 \|
		\| \|tensorflow(MT-NN) \|0.987 \|0.800 \|30 \|30 \|
		\| \|graph convolution \|0.930 \|0.819 \|40 \|40 \|
		\|muv \|logistic regression \|0.910 \|0.744 \|600 \|800 \|
		\| \|tensorflow(MT-NN) \|0.980 \|0.710 \|600 \|800 \|
		\| \|graph convolution \|0.881 \|0.832 \|800 \|1200 \|
		\|pcba \|logistic regression \|0.759 \|0.736 \|1800 \|5400 \|
		\| \|tensorflow(MT-NN) \|0.949 \|0.791 \|1800 \|7200 \|
		\| \|graph convolution \|0.866 \|0.836 \|2200 \|20000 \|
		\|sider \|logistic regression \|0.900 \|0.620 \|15 \|40 \|
		\| \|tensorflow(MT-NN) \|0.931 \|0.647 \|15 \|60 \|
		\| \|graph convolution \|0.845 \|0.646 \|20 \|60 \|
		\|toxcast \|logistic regression \|0.762 \|0.622 \|80 \|2000 \|
		\| \|tensorflow(MT-NN) \|0.926 \|0.705 \|80 \|2400 \|
		\| \|graph convolution \|0.906 \|0.725 \|80 \|3000 \|
		\|Dataset \|N(tasks) \|N(samples) \|Model \|Train score/ROC-AUC\|Valid score/ROC-AUC\|Time(loading)/s \|Time(running)/s\|
		\|-----------\|-----------\|-----------\|--------------------\|-------------------\|-------------------\|----------------\|---------------\|
		\|tox21 \|12 \|8014 \|logistic regression \|0.910 \|0.759 \|30 \|30 \|
		\| \| \| \|tensorflow(MT-NN) \|0.987 \|0.800 \|30 \|30 \|
		\| \| \| \|graph convolution \|0.930 \|0.819 \|40 \|40 \|
		\|muv \|17 \|93127 \|logistic regression \|0.910 \|0.744 \|600 \|800 \|
		\| \| \| \|tensorflow(MT-NN) \|0.980 \|0.710 \|600 \|800 \|
		\| \| \| \|graph convolution \|0.881 \|0.832 \|800 \|1200 \|
		\|pcba \|128 \|439863 \|logistic regression \|0.759 \|0.736 \|1800 \|5400 \|
		\| \| \| \|tensorflow(MT-NN) \|0.949 \|0.791 \|1800 \|7200 \|
		\| \| \| \|graph convolution \|0.866 \|0.836 \|2200 \|20000 \|
		\|sider \|27 \|1427 \|logistic regression \|0.900 \|0.620 \|15 \|40 \|
		\| \| \| \|tensorflow(MT-NN) \|0.931 \|0.647 \|15 \|60 \|
		\| \| \| \|graph convolution \|0.845 \|0.646 \|20 \|60 \|
		\|toxcast \|617 \|8615 \|logistic regression \|0.762 \|0.622 \|80 \|2000 \|
		\| \| \| \|tensorflow(MT-NN) \|0.926 \|0.705 \|80 \|2400 \|
		\| \| \| \|graph convolution \|0.906 \|0.725 \|80 \|3000 \|


		## Contributing to DeepChem

Original line number	Diff line number	Diff line
		@@ -203,23 +203,23 @@ passed a ``Featurizer`` object. ``deepchem`` provides a number of
		different subclasses of ``Featurizer`` for convenience:

		### Performances
		\|Dataset \|Model \|Train score/ROC-AUC\|Valid score/ROC-AUC\|Time(loading)/s \|Time(running)/s\|
		\|-----------\|--------------------\|-------------------\|-------------------\|----------------\|---------------\|
		\|tox21 \|logistic regression \|0.910 \|0.759 \|30 \|30 \|
		\| \|tensorflow(MT-NN) \|0.987 \|0.800 \|30 \|30 \|
		\| \|graph convolution \|0.930 \|0.819 \|40 \|40 \|
		\|muv \|logistic regression \|0.910 \|0.744 \|600 \|800 \|
		\| \|tensorflow(MT-NN) \|0.980 \|0.710 \|600 \|800 \|
		\| \|graph convolution \|0.881 \|0.832 \|800 \|1200 \|
		\|pcba \|logistic regression \|0.759 \|0.736 \|1800 \|5400 \|
		\| \|tensorflow(MT-NN) \|0.949 \|0.791 \|1800 \|7200 \|
		\| \|graph convolution \|0.866 \|0.836 \|2200 \|20000 \|
		\|sider \|logistic regression \|0.900 \|0.620 \|15 \|40 \|
		\| \|tensorflow(MT-NN) \|0.931 \|0.647 \|15 \|60 \|
		\| \|graph convolution \|0.845 \|0.646 \|20 \|60 \|
		\|toxcast \|logistic regression \|0.762 \|0.622 \|80 \|2000 \|
		\| \|tensorflow(MT-NN) \|0.926 \|0.705 \|80 \|2400 \|
		\| \|graph convolution \|0.906 \|0.725 \|80 \|3000 \|
		\|Dataset \|N(tasks) \|N(samples) \|Model \|Train score/ROC-AUC\|Valid score/ROC-AUC\|Time(loading)/s \|Time(running)/s\|
		\|-----------\|-----------\|-----------\|--------------------\|-------------------\|-------------------\|----------------\|---------------\|
		\|tox21 \|12 \|8014 \|logistic regression \|0.910 \|0.759 \|30 \|30 \|
		\| \| \| \|tensorflow(MT-NN) \|0.987 \|0.800 \|30 \|30 \|
		\| \| \| \|graph convolution \|0.930 \|0.819 \|40 \|40 \|
		\|muv \|17 \|93127 \|logistic regression \|0.910 \|0.744 \|600 \|800 \|
		\| \| \| \|tensorflow(MT-NN) \|0.980 \|0.710 \|600 \|800 \|
		\| \| \| \|graph convolution \|0.881 \|0.832 \|800 \|1200 \|
		\|pcba \|128 \|439863 \|logistic regression \|0.759 \|0.736 \|1800 \|5400 \|
		\| \| \| \|tensorflow(MT-NN) \|0.949 \|0.791 \|1800 \|7200 \|
		\| \| \| \|graph convolution \|0.866 \|0.836 \|2200 \|20000 \|
		\|sider \|27 \|1427 \|logistic regression \|0.900 \|0.620 \|15 \|40 \|
		\| \| \| \|tensorflow(MT-NN) \|0.931 \|0.647 \|15 \|60 \|
		\| \| \| \|graph convolution \|0.845 \|0.646 \|20 \|60 \|
		\|toxcast \|617 \|8615 \|logistic regression \|0.762 \|0.622 \|80 \|2000 \|
		\| \| \| \|tensorflow(MT-NN) \|0.926 \|0.705 \|80 \|2400 \|
		\| \| \| \|graph convolution \|0.906 \|0.725 \|80 \|3000 \|


		## Contributing to DeepChem

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