useful_rdkit_utils 0.1.6 Documentation
- Installation
- Usage
get_center()
get_shape_moments()
smi2mol_with_errors()
count_fragments()
get_largest_fragment()
mol2morgan_fp()
smi2morgan_fp()
mol2numpy_fp()
smi2numpy_fp()
apply_func()
RDKitDescriptors
RDKitProperties
Ro5Calculator
taylor_butina_clustering()
rd_setup_jupyter()
rd_enable_svg()
rd_enable_png()
rd_set_image_size()
rd_make_structures_pretty()
label_atoms()
tag_atoms()
rd_shut_the_hell_up()
demo_block_logs()
get_spiro_atoms()
max_ring_size()
ring_stats()
gen_3d()
MolTo3DView()
REOS
value_counts_df()
add_molecule_and_errors()