Loading deepchem/molnet/load_function/qm7_datasets.py +7 −6 Original line number Diff line number Diff line Loading @@ -84,12 +84,13 @@ def load_qm7( Note ---- DeepChem 2.4.0 has turned on sanitization for SDF files by default. For the QM7 dataset, this means that calling this function will return 6838 compounds instead of 7160 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this DeepChem 2.4.0 has turned on sanitization for this dataset by default. For the QM7 dataset, this means that calling this function will return 6838 compounds instead of 7160 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. References Loading deepchem/molnet/load_function/qm8_datasets.py +7 −7 Original line number Diff line number Diff line Loading @@ -93,13 +93,13 @@ def load_qm8( Note ---- DeepChem 2.4.0 has turned on sanitization for SDF files by default. For the QM8 dataset, this means that calling this function will return 21747 compounds instead of 21786 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. DeepChem 2.4.0 has turned on sanitization for this dataset by default. For the QM8 dataset, this means that calling this function will return 21747 compounds instead of 21786 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. References ---------- Loading deepchem/molnet/load_function/qm9_datasets.py +7 −7 Original line number Diff line number Diff line Loading @@ -102,13 +102,13 @@ def load_qm9( Note ---- DeepChem 2.4.0 has turned on sanitization for SDF files by default. For the QM9 dataset, this means that calling this function will return 132480 compounds instead of 133885 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. DeepChem 2.4.0 has turned on sanitization for this dataset by default. For the QM9 dataset, this means that calling this function will return 132480 compounds instead of 133885 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. References ---------- Loading Loading
deepchem/molnet/load_function/qm7_datasets.py +7 −6 Original line number Diff line number Diff line Loading @@ -84,12 +84,13 @@ def load_qm7( Note ---- DeepChem 2.4.0 has turned on sanitization for SDF files by default. For the QM7 dataset, this means that calling this function will return 6838 compounds instead of 7160 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this DeepChem 2.4.0 has turned on sanitization for this dataset by default. For the QM7 dataset, this means that calling this function will return 6838 compounds instead of 7160 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. References Loading
deepchem/molnet/load_function/qm8_datasets.py +7 −7 Original line number Diff line number Diff line Loading @@ -93,13 +93,13 @@ def load_qm8( Note ---- DeepChem 2.4.0 has turned on sanitization for SDF files by default. For the QM8 dataset, this means that calling this function will return 21747 compounds instead of 21786 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. DeepChem 2.4.0 has turned on sanitization for this dataset by default. For the QM8 dataset, this means that calling this function will return 21747 compounds instead of 21786 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. References ---------- Loading
deepchem/molnet/load_function/qm9_datasets.py +7 −7 Original line number Diff line number Diff line Loading @@ -102,13 +102,13 @@ def load_qm9( Note ---- DeepChem 2.4.0 has turned on sanitization for SDF files by default. For the QM9 dataset, this means that calling this function will return 132480 compounds instead of 133885 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. DeepChem 2.4.0 has turned on sanitization for this dataset by default. For the QM9 dataset, this means that calling this function will return 132480 compounds instead of 133885 in the source dataset file. This appears to be due to valence specification mismatches in the dataset that weren't caught in earlier more lax versions of RDKit. Note that this may subtly affect benchmarking results on this dataset. References ---------- Loading
