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Perses

Authors: Rufa, Dominic A.; Zhang, Ivy; Bruce Macdonald, Hannah E.; Grinaway, Patrick B.; Pulido, Iván; Henry, Mike M.; Rodríguez-Guerra, Jaime; +7 Authors
Abstract

What's Changed Enhancements Print perses version on startup by @mikemhenry in https://github.com/choderalab/perses/pull/1176 Support pymbar 3 & 4 by @mikemhenry in https://github.com/choderalab/perses/pull/1173 Store initial and final topologies for all phases -- small molecule pipeline by @ijpulidos in https://github.com/choderalab/perses/pull/1210 ### Documentation Added MPI example with dipeptide mutation by @ijpulidos in https://github.com/choderalab/perses/pull/1228 Update comments in RESTCapableHybridTopologyFactory doc string by @zhang-ivy in https://github.com/choderalab/perses/pull/1189 Clean examples -- CLI protein-ligand example for Tyk2 by @ijpulidos in https://github.com/choderalab/perses/pull/1223 ### Bug Fixes Fix spectator support by @ijpulidos in https://github.com/choderalab/perses/pull/1233 Realtime analysis interval to default to checkpoint interval by @ijpulidos in https://github.com/choderalab/perses/pull/1227 Correctly set cutoff for CustomNonbondedForce in HybridTopologyFactory when using a non-default cutoff distance. by @mikemhenry in Backport openfe fixes for context deletion by @mikemhenry in https://github.com/choderalab/perses/pull/1229 ###Testing/CI/Packaging Run CI on new 0.10.x branch by @mikemhenry in https://github.com/choderalab/perses/pull/1212 Use python executable from env by @mikemhenry in https://github.com/choderalab/perses/pull/1174 Remove example testing by @mikemhenry in https://github.com/choderalab/perses/pull/1214 CI miscellaneous fixes by @ijpulidos in https://github.com/choderalab/perses/pull/1217 Improve docker building by @mikemhenry in https://github.com/choderalab/perses/pull/1200 Full Changelog: https://github.com/choderalab/perses/compare/0.10.2...0.10.3

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selected citations
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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).
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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.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
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