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Acceptence Criteria Component Atom
Terdapat Komponen berikut lengkap dengan Storybook dan Unit Testing
- [ ] Button
- [ ] Label
- [ ] Text
- [ ] Link
- [ ] Input - Text
- [ ] Input - Checkbox
- [ ] I…
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I tried to use your pipeline. in the [Analyzing diffusion outputs] section of 0diffusion, the following error occurs. I tried to use your 7o2g_HBA.pdb with small molecule HBA and it works fine, I don'…
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Hi,
I encountered an issue when using reduce2 to add hydrogens to my protein. Some amino acids have an extra hydrogen atom added to their amide bonds, which caused problems in my subsequent protein …
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In the original `openmm\Lib\site-packages\openmm\app\internal\amber_file_parser.py`, there is a function called `getNonbondTerms`. Its content is as follows (see the image below):
![original_code…
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Hi!
This seems like a really nice lib and I've tried to use it for a quite simple expression parser, inspired by [clarkmcc/cel-rust](https://github.com/clarkmcc/cel-rust/blob/master/parser/src/cel.la…
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### System Info
`transformers` version: 4.45.2
- Platform: Linux-5.4.0-150-generic-x86_64-with-glibc2.27
- Python version: 3.9.0
- Huggingface_hub version: 0.24.7
- Safetensors version: 0.4.5
- …
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Hi everyone,
I want to obtain the lifetime of each phonon mode. When I tried to obtain the quasiparticle phonon data by running:
$ dynaphopy input_file TRAJECTORY -sdata
there was an error:
>…
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Hi,
I am trying to duplicate ligand atom in amber topology. I need this to calculate free energy of restraining ligand in ABFE calculation.
I am using parmed from recent amber24 release.
Using th…
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I've been trying to modify tutorial-08 to do a free energy ligand binding calculation on Bromodomain-BRD4, very similar to the one in the APR paper from 2017. With my setup, Tutorial-08 will run to co…
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Hi!
I have found that sblg (version >= 0.5.9) fails to build on macOS. It cannot find expat.
Test Environments
OS: macOS Sonoma, Monterey
CPU: x86_64 and arm64
$ ./configure
...
$ make
...
…