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Thanks for your great work! I wonder if I could use your pretrained model to test my video data directly, or should I finetune the model using the video data first, if I want to get the right results.
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Hello,
I am using Autodock GPU to study RNA-ligand interactions and I was wondering if there is anyway to get the individual contribution of energy terms in the output file.
Currently dlg output …
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I think we should go back to #112 and #124 and test density ovelap model (FDBM) properly, because I'm not sure it reproduce chemical intution and experimental data as it is now.
* Free-Electron pa…
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The thing is to kept the same colors for "=" and parameter values but to add different colors for parameter names regarding the categories:
; VARIOUS PREPROCESSING OPTIONS
; RUN CONTROL PARAMETERS
; …
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It is possible to give input files containing kernels for van der vaals density function. This should be an optional input file for `vasp.vasp`. The name for this file is `vdw_kernel.bindat`.
DropD updated
6 years ago
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Kinetic Search for this species
```
multiplicity 2
1 O u0 p2 c0 {3,S} {5,S}
2 O u1 p2 c0 {3,S}
3 N u0 p1 c0 {1,S} {2,S} {4,S}
4 X u0 p0 c0 {3,S}
5 X u0 p0 c0 {1,S}
```
Error messages
```
r…
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num = input("Introdueix un valor enter: ")
num = int(num)
while num>0:
print("Ara num val {}".format(num))
num = num - 3
print("Hem acabat i num val {}".format(num))
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Step to reproduce :
1) On https://vdw.github.io/HideSeek/ go the demo of "Ignore accents"
2) As expected typing `Theo` should display Théodore Géricault
3) Typing `Théo` should display Théodore Gé…
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I received lots of duplicate reactions from the output.html file. The kinetic data is the same but some of them have different flux pairs. There are 24 out of 65 duplicate reactions in the Surface_Ab…
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