README.md

CFChemDb_UI

See also:

• CFChemDb (repository)
• rdkit-tools (repository)
• rdktools (Pypi package)

Dependencies

• Flask
• RDKit
  • Installation (via conda recommended).

$ conda create -n rdktools -c conda-forge rdkit ipykernel
$ conda activate rdktools
(rdktools) $ conda install -c conda-forge pyvis
(rdktools) $ conda install -c conda-forge networkx=2.5
(rdktools) $ conda install -c conda-forge psycopg2
(rdktools) $ pip install pylatex
(rdktools) $ pip install flask --upgrade
(rdktools) $ pip install rdktools --upgrade

Alternately, create the rdktools environment with:

conda create -f conda/environment.yml

See also: conda/environment.yml (Create with conda env export >environment.yml.)

Flask

Test app:

(cd flask; ./Go.sh)

Under construction shapshots

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