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- write few letters in Hit navigator search bar
- data were filtered
- text cursor disappears when data are filtered and I cannot type in any other characters
https://github.com/m2ms/fragalysis-f…
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The following two molecules show significant energy differences with respect to reference code. This must be investigated.
```
HF BASIS=def2-svp cutoff=1.0e-9 denserms=1.0e-6 zmake GRADIENT DIP…
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Currently in `openff-benchmark optimize execute`, execution occurs per spec in the specified season, iterating through all selected molecules. This is normally just fine, but if a user wants to re-run…
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The changes to the task `name: Create molecule instance(s)` in https://github.com/ansible-community/molecule-plugins/commit/e9d56496261807a5174c1347123b49e629c2490b in https://github.com/ansible-commu…
sjpb updated
7 months ago
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Hi,
I've been following the pmx [tutorial found here](http://pmx.mpibpc.mpg.de/janssen_tutorial_ligand/index.html). In this tutorial, the hybrid molecule with both A and B end states is created at…
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Dear Developers
I have 13 PDB files obtained from AlphaFold database and we suspect these 13 PDB form a complex. We thought of performing the protein-protein docking to check this using haddock3 bu…
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The enamine building block file changes with time. Since the molecules in the building block file is used as a key, will the decryption of the preprocessed file work in the future?
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### What version of Bun is running?
1.0.18 macOS
### What platform is your computer?
ARM64
### What steps can reproduce the bug?
My project uses the [Moleculer](https://moleculer.servic…
524c updated
9 months ago