Published June 20, 2017
| Version 0.11.0
Software
Open
choderalab/openmmtools: 0.11.0
Authors/Creators
- 1. Memorial Sloan Kettering Cancer Center
- 2. @choderalab // MSKCC
- 3. @choderalab
Description
New Features:
- LangevinIntegrator now sets measure_heat=False by default for increased performance (#211)
- AbsoluteAlchemicalFactor now supports disable_alchemical_dispersion_correction to prevent 600x slowdowns with nonequilibrium integration (#218)
- We now require conda-forge as a dependency for testing and deployment (#216)
- Conda-forge added as channel to conda packages
Files
choderalab/openmmtools-0.11.0.zip
Files
(10.9 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:32ada4db4469544716d0c81842aaf60c
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10.9 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/choderalab/openmmtools/tree/0.11.0 (URL)