Downloads provided by UsageCountsopenforcefield/openff-toolkit: 0.13.0 Minor feature and bugfix release
Jeff Wagner; Matt Thompson; David L. Mobley; John Chodera; Caitlin Bannan; Andrea Rizzi; trevorgokey; +21 Authors
Jeff Wagner; Matt Thompson; David L. Mobley; John Chodera; Caitlin Bannan; Andrea Rizzi; trevorgokey; David L. Dotson; Josh A. Mitchell; jaimergp; Camila; Pavan Behara; Christopher Bayly; JoshHorton; Lily Wang; Iván Pulido; PEFrankel; Victoria Lim; Sukanya Sasmal; SimonBoothroyd; Andrew Dalke; Ethan Holz; Brent Westbrook; Daniel Smith; Josh Horton; Lee-Ping Wang; Richard Gowers; Ziyuan Zhao;
openforcefield/openff-toolkit: 0.13.0 Minor feature and bugfix release
0.13.0 Minor feature and bugfix release This release adds Topology.from_pdb, which can load PDB files containing multiple molecules, including proteins, waters, Sage-supported monoatomic ions, and user-provided small molecules. Topology.from_pdb provides a superset of Molecule.from_polymer_pdb's functionality. Therefore we recommend using Topology.from_pdb over Molecule.from_polymer_pdb in all cases. For the complete release notes, please see our documentation For help getting the OpenFF Toolkit running, see our installation instructions. Please report bugs, request features, or ask questions through our issue tracker. Please note that there may still be some changes to the API prior to a stable 1.0.0 release.
- Relay Therapeutics (United States) United States
- Harvard University United States
- Italian Institute of Technology Italy
- University of California, Irvine United States
- Open Molecular Software Foundation United States
selected citations These citations are derived from selected sources.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).3 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.Top 10% 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 views 1K downloads 2 - 1Kviews2downloads
selected citations
Citations provided by BIP!
These citations are derived from selected sources.
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).
Citations provided by BIP!popularityPopularity provided by BIP!
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
Popularity provided by BIP!influenceInfluence provided by BIP!
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
Influence provided by BIP!impulseImpulse provided by BIP!
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
Impulse provided by BIP!viewsViews provided by UsageCounts
Views provided by UsageCountsdownloadsDownloads provided by UsageCounts
Downloads provided by UsageCounts 3
Top 10%
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Average
1K
2