**Added:**
- Add `dm.utils.fs.copy_dir()` to recursively copy directories across
filesystems + tests.
- Add `dm.utils.fs.mkdir` + tests.
- Add a new `dm.descriptors` module with `compute_many_descriptors`
and `batch_compute_many_descriptors` + tests.
- Add `dm.viz.match_substructure` to highlight one or more
substructures in a list of molecules + tests. Note that the current
function does not show different colors per match and submatch
because of a limitation in `MolsToGridImage`. We plan to address
this in a future version of datamol.
- Add a new `mcs` module backed by `rdkit.Chem.rdFMCS` with `find_mcs`
function + tests.
- Add a new function `dm.viz.utils.align_2d_coordinates` to align 2d
coordinates of molecules using either a given pattern or MCS.
- Add `dm.canonical_tautomer` to canonicalize tautomers.
- Add `dm.remove_stereochemistry()`.
- Add a `bond_line_width` arg to `to_image`.
- Add `dm.atom_list_to_bond()`
- Add `enable` flag to `dm.without_rdkit_log()`
- Add a tutorial about the filesystem module.
- Add a tutorial about the viz module (still incomplete).
- Add `dm.substructure_matching_bonds` to perform a standard
substructure match but also return the matching bonds instead of
only the matching atoms.
- Add new `dm.isomers` module + move relevant functions from `dm.mol`
to `dm.isomers`
- Add `dm.add_hs` and `dm.remove` to add and remove hydrogens from
molecules.
**Changed:**
- Set `fsspec` minimum version to `\>=2021.9`.
- Pimp up `dm.utils.to_image` to make it more robust (don't fail on
certain molecules due to incorrect aromaticity) and also propagate
more drawing options to RDKit such as `legend_fontsize` and others.
- Add a new `align` argument in `dm.to_image()` to align the 2d
coordinates of the molecules.
- In `dm.to_image`, `use_svg` is now set to `True` by default.
- Change the default `mol_size` from 200 to 300 in `to_image`.
- Link `datamol.utils.fs` to `datamol.fs`.
- Change default `chunk_size` in `copy_file` from 2048 to 1024 \* 1024
(1MB).
- Support parallel chunked distances computation in
`dm.similarity.cdist`
**Authors:**
- Hadrien Mary