Published August 16, 2019 | Version v1.12.0
Software Open

drugdata/D3R: Parallel task execution and updates for new Schrodinger

Creators

  • 1. @openforcefield

Description

  • Execute tasks in stage in parallel. Issue #202
  • Use absolute path for custom celpp weeks. Issue #204
  • Check that Schrodinger env variable is set before using. Issue #205
  • Capture Schrodinger version in weekly outputs. Issue #206
  • Save number of submitted targets for each participant to REST API. Issue #207
  • Handle and prevent empty PDB files created by Schrodinger. Issue #208

Files

drugdata/D3R-v1.12.0.zip

Files (660.2 kB)

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Additional details

Related works

Is supplement to
https://github.com/drugdata/D3R/tree/v1.12.0 (URL)