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### Basic information
* My operating system and version: Windows 10 Education
* My mzmine version: 4.4.0
### What happened
I was attempting to use the new Spectral/Molecular Networking tool de…
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The current data preprocessing module only supports SMILES strings as input and generates a limited set of molecular descriptors. Is it possible to expand the module to support other molecular input f…
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### Basic information
* My operating system: Windows 11
* My mzmine version: 4.2.0
### What happened
I was trying to use spectral/molecular networking to group precursors based on the similari…
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When visualizing molecules, there is a distortion issue depending on which molecule is included in the legend, even if the molecules are the same. This seems to be related to the `aspectmode='data'` s…
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Hi there,
Sorry if this is a dumb question but I'm fairly new to blender. I've installed the plugin and made my first render. However, I would like to automate this with a python script to downloa…
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Hello author, may I ask if GAN can be used to predict the eutectic structures of two organic compounds, such as CL20 and BTF? Currently, the eutectic structures of these two compounds have not been pr…
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### Model Name
MolE molecular embeddings
### Model Description
MolE is a foundation model for chemistry developed by Recursion. It combines geometric deep learning with transformers, to learn a mea…
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**Configuration:**
- RDKit Version:2019.03.2
- Operating system:redhat
- Python version (if relevant):3.7
- Are you using conda? yes
- If you are using conda, which channel did you ins…
kexul updated
4 hours ago
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Hi there, thank you for the great JAX implementation of DimeNet!
I wanted to ask if there are any more in-depth tutorials for using this repository with additional data. I have molecules in the for…
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Whenever you set up a VFX Motion Tracking scene, with molecular enabled, blender immediately crashes as soon as "Solve Camera Motion" has been pressed. Once molecular is disabled, this issue goes away…