-
Notifications
You must be signed in to change notification settings - Fork 38
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Running custom dataset #15
Comments
After re-setting up my Linux machine(Ubuntu 20.04.3 LTS), I came across missing dependencies not incorporated into the setup I propose the following:
|
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Hi,
I just started out with your tool and run into similar problems as others already reported and wanted to share my solutions, which worked for me.
I followed the installation instructions as indicated here: https://github.com/JoshuaMeyers/DeeplyTough#code-setup
Long story short:
change requirements.txt to the current version of mdtraj (1.9.7 currently)
install pip install numpy==1.8.1 after activating deeplytough_mgltools environment
change conda environment change call in deeplytough/misc/utils.py line 142 to "conda activate" (dependen on conda version (mine is 4.6)
I hope that this will help you and others facilitating the installation process.
The text was updated successfully, but these errors were encountered: