Merge branch 'master' of https://github.com/MolecularAI/DockStream

079a039c · Christian Margreitter · 1bb3a599 · efefbe52 · 079a039c · 079a039c
Commit 079a039c authored Nov 17, 2021 by Christian Margreitter
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environment.yml
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environment_full.yml
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--- a/environment.yml
+++ b/environment.yml
@@ -10,6 +10,7 @@ dependencies:
  - jsonschema
  - rdkit >= 2021
  - matplotlib
+  - scikit-learn
  - seaborn>=0.11.0
  - pandas
  - numpy

--- a/environment_full.yml
+++ b/environment_full.yml
@@ -12,6 +12,7 @@ dependencies:
  - jsonschema
  - rdkit >= 2021
  - matplotlib
+  - scikit-learn
  - seaborn>=0.11.0
  - pandas
  - numpy