Skip to content
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

change configuration file for prior (no lig) sampling #54

Open
sll513 opened this issue Aug 26, 2022 · 1 comment
Open

change configuration file for prior (no lig) sampling #54

sll513 opened this issue Aug 26, 2022 · 1 comment

Comments

@sll513
Copy link

sll513 commented Aug 26, 2022

I found that the default generate.config file provided is for posterior sampling (with ligand) https://github.com/mattragoza/LiGAN/blob/master/config/generate.config

What parameter(s) I need to change for prior (no lig) sampling as input file I need to provide has ligand information? "prior"? "post_factor"? anything else? Thanks,

a sample prior generate.config file is appreciated

@mattragoza
Copy link
Owner

To perform prior sampling, you should set the config option generate: prior: True.

The post_factor option also controls prior vs. posterior sampling, but it interpolates between them such that post_factor = 1.0 is fully-posterior sampling and post_factor = 0.0 is fully-prior sampling. This option is ignored when prior = True.

I have added a sample config file config/prior.config that can be passed to generate.py for prior sampling.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants