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- **Graph-loading dataset： constraint on graph names**
With your graph-loading prompt, frequently Chat-GPT is generating graph-name that does not exist, **how do you constraint the output to the 1…
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These are the classes not in the eNanoMapper ontology but used in the NanoCommons data model (https://nanocommons.github.io/datasets/).
Solving this solves #292 too.
- [x] Primary human bronchia…
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Hi, I am using MonteCarloAnisotropicBarostat to relax a carbon nanotube system in the NPT ensemble. In my system, the box is split by two pieces of graphene and connected with a carbon nanotube, betwe…
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Hi:
I am trying to simulate a fixed carbon nanotube, as shown below, by setting the mass of particles of CNT and graphene to zero.
. I am using the ab…