Mercurial > repos > bgruening > rdconf

diff test-data/rdkit_descriptors_subset.tab @ 0:5c501eb8d56c draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit c1d813d3f0fec60ea6efe8a11e59d98bfdc1636f"
author bgruening
date Sat, 04 Dec 2021 16:39:31 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/rdkit_descriptors_subset.tab	Sat Dec 04 16:39:31 2021 +0000
@@ -0,0 +1,2 @@
+MoleculeID	FormalCharge	MolWt	qed
+3037	0	269.127	0.864713