There is a newer version of the record available.

Published April 20, 2018 | Version 0.21.2

choderalab/yank: More Post-Sams Bugfixes

  • 1. @choderalab
  • 2. Memorial Sloan Kettering Cancer Center
  • 3. California Institute of Technology

Description

  • Fix analysis on 32-bit platforms OS agnostic
  • More robust analysis tests
  • Pin Cerberus to 1.1 as 1.2 breaks some schemas. Proper fix in a later version.
  • UML Diagrams added to docs
  • Fix API bug for resuming simulations without specifying how many iterations to run

Files

choderalab/yank-0.21.2.zip

Files (8.6 MB)

Name Size Download all
md5:6a7650f1a1d74952cf1497ada2a226c1
8.6 MB Preview Download

Additional details

Related works