v1.0.0 - 2022-06-07

[1.0.0] - 2022-06-07

Added

• Support for multiprocessing, enabled by default (Issue #46). The number of processes can
  be controlled through n_jobs in fp.run and fp.run_from_iterable.
• New interaction: van der Waals contact, based on the sum of vdW radii of two atoms.
• Saving/loading the fingerprint object as a pickle with fp.to_pickle and
  Fingerprint.from_pickle (Issue #40).

Changed

• Molecule suppliers can now be indexed, reused and can return their length, instead of
  being single-use generators.

Fixed

• ProLIF can now be installed through pip and conda (Issue #6).
• If no interaction is detected in the first frame, to_dataframe will not complain about
  a KeyError anymore (Issue #44).
• When creating a plf.Fingerprint, unknown interactions will no longer fail silently.