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[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.
If you use this software, please cite the corresponding article (see preferred-citation).
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citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |