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DeepChem does not run on windows, so I am considering to try Google Colab. Is there any key feature I would be missing by using Google Colab remotely from Windows rather than the original DeepChem on Linux?

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    $\begingroup$ Guys, instead of giving a brand new user 3 downvotes without writing a single comment, why don't you try editing the question to make it better? In essence it was an appropriate question for ChemSE, just could have benefited from a bit of improving touches. $\endgroup$ Commented Apr 15, 2020 at 18:13
  • $\begingroup$ When you are using Google Colab, it runs on Google's servers, so there is no such thing as Colab on Windows or Colab on Linux. Besides that, the most obvious problem is that the calculations using Colab have limited resources, CPU time, etc if you use a free account. $\endgroup$
    – Greg
    Commented Apr 15, 2020 at 19:42
  • $\begingroup$ @Buttonwood I frankly do not understand why you answering this to me. One can try to run it on Windows, indeed. $\endgroup$
    – Greg
    Commented Apr 15, 2020 at 20:02
  • $\begingroup$ @Greg So it was an misunderstanding by mine « it runs on Google's servers», ok. $\endgroup$
    – Buttonwood
    Commented Apr 15, 2020 at 20:03
  • $\begingroup$ @Greg since you say that "there is no such thing as Colab on Windows" I edited the question to say "remotely FROM Windows" ... without the caps lock on "from". This indicates that the user is starting from Windows, but remotely connecting to the Google servers. Is it better? Feel free to edit it further if you can! $\endgroup$ Commented Apr 15, 2020 at 21:05

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DeepChem's project web page indicates further documentation and access to the source files used. Just click the «fork me on github» sign in the top right hand corner leads you to this page. From the notes there, it becomes obvious that many tasks the program suite handles are managed with Python which you should install in first place (e.g., Python's Python, or Anaconda's Python) then offering a platform independent use of deepchem in Linux, Mac, or Windows (see this report).

Once you have this installed, you just have to solve the «must have» dependencies», in Python's Python with python package installer pip3 on the CLI

pip3 install joblib pandas sklearn tensorflow pillow deepchem

and maybe the ones listed as «soft requirements» such as RDKit.

A nice thing is that a package manager like pip will check if additional requirements have to be adjusted, and if so, will offer to adjust your system accordingly «on the fly». Just be aware that you might need a considerable chunk free memory on permanent memory for the modules deepchem relies. Don't forget the inofficial package (wheel) index for Python modules in Windows by Christopf Gohlke which may assist you in solving the dependencies, too.

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  • $\begingroup$ I am not sure it answers the original question, but definitely a useful attempt to do so. $\endgroup$
    – Greg
    Commented Apr 16, 2020 at 5:53

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