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As I proposed in maxhodak/keras-molecules#54. I am interested in why the charset is designed like this. It's not straightforward. From the viewpoint of chemistry, the chlorine "Cl" should not be treat…
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Dear Wayne,
Every now and then I'm looking for freely available molecular biology software, e.g. to give it to our beginner students or use it by myself.
For my own little problems I'm actually u…
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@mastrof, maybe we can discuss what you commented in this post: https://github.com/JuliaDynamics/Agents.jl/issues/884#issuecomment-1732556853
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Here is what Vit and I agreed upon:
- Start with the microscope session
- Reflect on the design of the session and the instructional material
- Discuss other examples including the open hardware a…
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Hello @AspirinCode
Thank you so much for actively maintaining this repository. I truly appreciate the effort and dedication you’ve put into it!
The repository features papers related to molecul…
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**Describe the bug**
I am trying to upload a PDB file locally to Blender through Molecular Nodes. The file is quite complex as it contains ~150 chains (names of chains are either numbers, lower or up…
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Spinoff discussion from https://github.com/openmm/openmm/issues/3924
This issue is to discuss whether we can port the AIREBO force field from LAMMPS (https://arxiv.org/pdf/1810.07026.pdf) and the f…
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During my analysis of the API data, I noticed an inconsistency in the mapping for a specific publication. For example, when retrieving the publication with PubMed ID 31015011, the API indicates that t…
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---
name: chemboxR
about: Molecular information calculator based on empirical formulas of chemicals in raw text.
---
Submitting Author Name: Wilfred Hass, Vikram Grewal, Luke Yang, NatePua…
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The following example from PCP documentation:
`import pubchempy as pcp
c = pcp.Compound.from_cid(5090)
print(c.molecular_formula)`
results in
`SSLCertVerificationError Traceback …