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https://github.com/openforcefield/openff-docs/actions/runs/10755472185
Snippet of log is below. [I'm not seeing these failures in my own nightly CI](https://github.com/openforcefield/openff-interch…
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as i use the command
python scripts/dock.py
there is a error,and i can't find the module 'openforcefield' , how can i solve this problem?
Traceback (most recent call last):
File "/home/zlf/D…
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Input:
python3 scripts/dock.py --run_path runs/paper_baseline --dataset_path ./examples
Output:
Traceback (most recent call last):
File "/Users/chiragpatel/Desktop/EDM-Dock/scripts/dock.py", l…
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When the new openforcefield version gets updated, it will break smirky, I suggest we just pin the openforcefield version to 0.0.3 in the smarty conda install
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this call should be adjusted to first set all `running` tasks to `waiting`, then un-action all `waiting` tasks.
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Every time I look at this issue tracker I think about writing this question and then forget. We have a lot of issues still here that really belong to other repositories now. It seems like it would bes…
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Something about lifecycle management actions is currently failing with the following error. I'm able to reproduce locally.
```
Run python ./management/lifecycle.py --states "Error Cycling" --set-…
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This seems (~4 years?) out of date
> Do you have plans to broaden your effort to include protein and biopolymer force fields?
> As mentioned above, we have successfully [applied for federal fund…
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Hello.
Thanks for this awesome work.
I have a protein-ligand system parameterized with openff. I can save it as amber format parm7 or prmtop files. But, it's not very straightforward to save frc…