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There are duplicate classes and incompatible interfaces, this needs to be corrected.
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Hello.
Thanks again for this amazing work.
The sequence based potentials are really useful.
I am wondering if it's also possible to have structure based potentials.
For example, if I want certain…
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Hello,
I have been trying to recreate other oligomers, with an example of the code below:
python .\scripts\run_inference.py --config-name=symmetry inference.symmetry="C4" inference.num_designs=1…
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The calculation of liquid junction potentials seems to be generally done using the Henderson equation. This is equation (8) in [this paper](https://pubs.acs.org/doi/pdf/10.1021/ac50014a035). The paper…
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Hello all,
I was just wondering if you could possibly address the following for me please?
--The equation defining the relation between lensing C_l^phiphi and Cl^gamma-gamma given in explanatory…
mo323 updated
7 years ago
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I've been trying motif scaffolding and I noticed there is difference between results produced by github RFdiffusion and by google colab RFdiffusion. I will post screen shots for explanation. Also, due…
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The actual interaction potentials should be separated from generic properties like
cutoff, offset and shift. This is independent from each other, would give all potentials
shifts and cutoff and woul…
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- I am an ELN admin and user
**Is your enhancement request related to a problem? Please describe.**
Researchers do CV measurements and get CV spectra with reversible signals. However, some chemist…
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Hi,
I would like to apply a custom angle potential to topologic particles to restrict the geometry of the molecule. However, it seems current custom potentials can only be applied to regular partic…
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If just started fitting some ACE potentials and would like to experiment with them in ase. The documentation mentions that this can be done via pyjulip, but this issue in the pyjulip repo (https://git…