1. test_notebooks
Name
gosiao's repositories
conformers_m1.ipynb
conformers_m13.ipynb
conformers_m7.ipynb
geometry_m1.ipynb
geometry_m7.ipynb
notes.ipynb
notes_m1.ipynb
notes_m7.ipynb
test.ipynb
test_rdkit.ipynb
wrong_alignment.ipynb
mol_inp.sdf
mol_out.sdf
notes.html
out1.sdf
out2.sdf
out3.sdf