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Update the GeoMol with formatting fixed
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Submodule GeoMol
updated
12 files
+4 −1 | .gitignore | |
+0 −0 | __init__.py | |
+1 −1 | generate_confs.py | |
+8 −4 | geomol/GNN.py | |
+8 −9 | geomol/featurization.py | |
+20 −11 | geomol/inference.py | |
+54 −27 | geomol/model.py | |
+7 −2 | geomol/training.py | |
+2 −2 | geomol/utils.py | |
+12 −12 | scripts/compare_confs.py | |
+1 −1 | setup.py | |
+13 −4 | utils.py |