-
Currently, the [VQE Chemistry](https://github.com/aws/amazon-braket-examples/blob/main/examples/hybrid_quantum_algorithms/VQE_Chemistry/VQE_chemistry_braket.ipynb) example notebook uses `FreeParameter…
-
Hi, I'm trying to reinstall planemo this way but it fails:
```
root@fc64b8caa435:/galaxy# python3 -m venv planemo
root@fc64b8caa435:/galaxy# . planemo/bin/activate
(planemo) root@fc64b8caa435:/g…
-
Good morning,
I'm trying to use PROPKA3.4 to obtain an estimation of the pKa of an aspartate residue inside a mutant of a small bacterial protein.
My mutant protein includes one Zn2+ ion with a comp…
-
Currently, the kernel for finding solvation distances does not work very well. For Solution to reliably instantiate without errors, this needs to be fixed. This is also needed to address issue #19.
-
It seems like Unyt is using a truncated version of Avogadro's number, being 6.0221e23. Is this the case? If so, I recommend the following.
The seemingly more accurate Avogadro's number is 602,214…
bc118 updated
2 years ago
-
In the tutorial it mentions this but where exactly is `data/test_multi_colours.py`?
-
Issue was tested with the latest available commit ([c2e1776](https://github.com/thsa/datawarrior/commit/c2e1776706b8e3ed817b5f8bdfac706192d20208)).
The attached example file [InChI-example.txt](htt…
-
It would be advantageous to be able to specify an upper boundary condition in CAM, CAM-CHEM and WACCM from a file. CAM-CHEM currently has a zero flux condition and so misses upper atmospheric sources …
-
-
Hello seniors, I am new to front-end programming. Plan to make a molecular visualization web page.
How to use 3dmol.js in vue3 or react framework, is there a template?
any suggestions, thank you!