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Hi all
Is there a way to get the total energy of the input conformation without doing any sampling?
In the [findgmec](https://github.com/donaldlab/OSPREY3/blob/main/examples/python.GMEC/findGMEC.py…
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Great work, I managed to run examples and prepare my own "mock" - it works just fine. I have some difficulties though when analyzing the results - I'd like to check individual users' predictions to an…
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code and data: `/projects/0/deeprank/BM5/issue147`
> Create new database ./1ZM4.hdf5
>
> Start creating HDF5 database: ./1ZM4.hdf5
> Creating database : 0%| | 0/1 [00:00
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First off, THANK YOU for creating Frigate! I've been using Shinobi/Zoneminder/etc. for many years, but they've all been a very painful experience (coming from a professional Sysadmin, that means somet…
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I would like to conbine this and an other repo pywebview for a better js bridge in webview.
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The bot is used on several servers where the primary language is neither English or Arabic.
The usage of user-contributed translations will increase the accessibility of the bot to more communities…
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Hello.
I cant understand how can I reconstruct types with retdec-decompiler.py.
I expected to see struct declaration above function listing (how implemented in snowman decompiler)
s0i37 updated
4 years ago
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The docker-compose item in README tells how to map a local folder to a volume for storing installed
packages. As we expand the scope of Bioc-python interactions, it may be of interest to store, loca…
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@jchodera I was trying to run hydration free energy calculation of phenol. I would like to input Yank by using openmm files of the serialized systems (vacuum and solvated phases). I made a .yaml scrip…
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## Step 1: Get best open-source model:
model: `togethercomputer/GPT-NeoXT-Chat-Base-20B` https://huggingface.co/togethercomputer/GPT-NeoXT-Chat-Base-20B
## Step 2: Get good open-source instruct da…