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Hi,
I'm recently having problems with the [latextools](https://github.com/msiniscalchi/atom-latextools) package, which seems to be abandoned.
Now I'm looking to modernize my latex integration in A…
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pdbfixer adds four hydrogens to the N of the CASN, which is undoubtedly wrong, but the program does not report an error. when I input this structure into openmm to minimize it, the program shows the m…
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Suppose we have a tupe of atoms `(alpha beta gamma delta delta)`. How to filter out `delta`?
Now suppose we have a tupe of strings `("alpha" "beta" "gamma" "delta" "delta")`. How to filter out 'delta…
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## Expected Behavior
I try to transform PDB structures into 3Di sequences. For mini3di (https://github.com/althonos/mini3di/), I used
```
pdb_path = "1xso.cif"
# mini3di
from Bio import PDB
if p…
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Contrary to popular belief, RSS isn't a normalized file format but *three* different file formats:
- RDF Site Summary (RSS 0.9 and RSS 1.0)
- Rich Site Summary (RSS 0.91)
- Really Simple Syndicatio…
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Could we add a feature into `@swc-jotai/debug-label` so that this provides a fallback label but otherwise uses a `.debugLabel` if one already exists?
e.g.
```ts
countAtom.debugLabel = countAtom…
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Hi,
I'm training a model with 1000 configurations of pure water taken at different densities generated from DFT calculations (VASP) at 300K.
I am using the following parameters for training:
…
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Hi, thanks for your great work!
I have a small question about KV Cache quantization. Did you use pagedattention to accelerate KV Cache 4-bit quantization? If so, where is the corresponding cuda kerne…
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Hello,
I am attempting to create a GAP potential for silicon and carbon. I have installed the QUIP library with the architecture linux_x86_64_gfortran. For the training of the GAP I am using the fo…
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**Description**
Please describe the behavior you would like added to Interchange.
Various things we've discovered about lammps files that are requiring/using some post-generation modification we w…