wwjCMP / q-robot

大师兄科研网-脚本

Q_robot environment:

Add the following four lines to your ~/.bashrc file

### Q_robot 
export ROBOT=$HOME/bin/q-robot
export PATH=$PATH:$ROBOT/actions:$ROBOT/friends/vtst/vtstscripts-937
export PYTHONPATH=$PYTHONPATH:$ROBOT/brain

Dependencies

pdftotext scholarly selenium RDkit openbabel xyz2mol

Useful Commands

To install pip3

sudo apt-get update
sudo apt install python3-pip

To install pdftotext

https://github.com/jalan/pdftotext

sudo apt-get install build-essential libpoppler-cpp-dev pkg-config python-dev
pip3 install pdftotext --user

To install scholarly, selenium

https://github.com/OrganicIrradiation/scholarly

https://github.com/SeleniumHQ/selenium/

pip3 install scholarly --user
pip3 install selenium --user

RDkit, Openbabel

See website.

xyz2mol

https://github.com/jensengroup/xyz2mol# q-robot