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Table 3 List of selected GitHub URLs of researchers working in the domain of computational drug discovery

From: Towards reproducible computational drug discovery

Researcher’s name

GitHub URL

Ligand-based

Structure-based

Systems-based

Andrea Volkamer

https://github.com/volkamerlab/

✔

✔

 

Chanin Nantasenamat

https://github.com/chaninlab/

✔

 

✔

 

https://github.com/chaninn/

✔

  

Egon Willighagen

https://github.com/egonw/

✔

  

George Papadatos

https://github.com/madgpap/

✔

  

Greg Landrum

https://github.com/greglandrum/

✔

  

Jan H. Jansen

https://github.com/jensengroup/

✔

✔

 

John Chodera

https://github.com/choderalab/

✔

✔

 

Ola Spjuth

https://github.com/olas/

✔

  

Rajarshi Guha

https://github.com/rajarshi/

✔

  

Samo Turk

https://github.com/samoturk/

✔

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