Published May 25, 2018
| Version 0.22.1
Software
Open
choderalab/yank: Online Analysis Default
Authors/Creators
- 1. @choderalab
- 2. Memorial Sloan Kettering Cancer Center
- 3. California Institute of Technology
Description
- Online analysis will always run by default now, with no target error, run every checkpoint interval, and with at least 200 iterations
- Online analysis can now be a set to the checkpoint interval by setting
online_analysis_interval: "checkpoint"in the YAML files (application layer, not API) - Checkpoint interval increased from default of 10 to 200
- Analysis now uses the online-analysis data if available by default
Files
choderalab/yank-0.22.1.zip
Files
(8.6 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:a3dcbfbd5e12beeb97023fa4eed52a7e
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8.6 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/choderalab/yank/tree/0.22.1 (URL)