maize

maize copied to clipboard

Error running `maize workflow.yml`

4

Hi, I am interested in using maize for docking as a scoring function for molecular generation using REINVENT4. I got an error message when calling `maize` from CLI, even through...

cyan-moma

Hi, The cpu_count method is now Mac OS compatible. It would be helpful if you could import the code. ref: https://stackoverflow.com/questions/74048135/alternatives-to-os-sched-getaffinity-for-macos

kzfm

Great software, appreciate your work very much! **Version:** 0.9.1 **Platform:** CentOS Stream 9 **Description:** Unconnected optional internal output ports don't pass Graph.check_connectivity() because it checks only input ports for optionality....

mikegluk

Adding Glide workflow to Reinvent4

5

Hello all, I have been using Reinvent4 for several months on a lead discovery project, and I really appreciate its use as a library generator. For my past project, I...

AlexMortenson

### **Problem** Currently both examples and my own implementations end with a ```ValueError``` due to the dual cleanup mechanism in ```RunPool```. The class registers cleanup_processes with ```atexit``` for safety, but...

jonmarks12

Hello, Thanks again for posting and maintaining this great code! Is there a node, or is it possible to have a Merge-like node that will wait for each of its...

indazole

Compatibility issue: MAIZE not working with REINVENT on Windows CPU

1

Hi team, I’m currently working on drug discovery projects using REINVENT on a Windows machine (CPU-only) setup. The REINVENT installation was successful and it's running well on my system. However,...

imrika-14

mol docking with maize in REINVENT 4

1

I'm trying to use "staged_learning" with docking score in REIVENT 4. However, I am getting a persistent error (please see below). Anyone could you help me out regarding this issue?...

gustavoac83lbcd