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pnnl / isicle

In silico chemical library engine for high-accuracy chemical property prediction
BSD 3-Clause "New" or "Revised" License
58 stars 19 forks source link

Ensure third-party tool environment variable management #21

Open smcolby opened 11 months ago

smcolby commented 11 months ago

Remove any instances of function(path="/path/tool") in favor of setting appropriate environment variables.