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Thanks for your interest in drugsniffer. Please feel free to use and extend drugsniffer as is useful for you, but be aware that development and maintenance are paused -- we are currently not able to a…
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Hello, thank you for developing this great and easy to use tool. Have you got any recommendations on using it for non sequencing-based transcriptomic methods e.g. 10X Visium? What are the implications…
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There are multiple places where chemical fingerprints are calculated in the ‘clm’ package, and this implies a decision about what fingerprinting algorithm to use. Currently, the code switches back and…
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As shown in the picture, it seems like Cl and Na ions have formed three bonds which is not c…
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LBLRTM supports multiple atmospheric profile inputs, as shown in the following figure:
If I have some …
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**Steps to Reproduce**
1. Go to Molecules
2. Load from file: [Atom properties (Alias, Isotop (atomic mass) and Radical) are not implemented in Macro.zip](https://github.com/user-attachments/files/17…
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- What is the list of files needed?
[These 8 files](https://github.com/ricalessandri/Martini3-small-molecules/tree/main/models#description-of-available-files).
- What is the minimal validation …
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**Is your feature request related to a problem? Please describe.**
I am trying to produce grid_esp and grid_properties alongside a number of one-electron properties (https://psicode.org/psi4manua…
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[CellCNN](https://www.nature.com/articles/ncomms14825) is a powerful new technique to discover rare cell populations that correlate with outcomes variables (eg., Response). It would be powerful to inc…
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Hello!
I want to suggest a simple feature that allows us to hide/ignore hydrogen atoms in some representations (styles) instead of removing them when importing.
Basically the idea is to add a switc…