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Merge branch 'staging'
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tdudgeon committed Mar 27, 2024
2 parents 6d1e6c5 + ede1a31 commit ff9e722
Showing 1 changed file with 2 additions and 4 deletions.
6 changes: 2 additions & 4 deletions data-manager/rdkit.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -112,10 +112,8 @@ jobs:
- lineCount: 100

generate-low-energy-conformers:
name: Generate 3D conformers (sharded)
description: >-
Generate a low energy 3D conformers of molecules. Inputs are defined
by the prep-enum-conf-lists job and outputs are written to the sharded file system.
name: Generate 3D conformers
description: Generate a low energy 3D conformers of molecules
version: '1.0.0'
category: virtual screening
keywords:
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