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__Terms:__
I've annotated each link using the following terms below. I've provided explanations for what I mean by each term.
[Formatting Issues] Usually an issue with bullet or numbered lists
[M…
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bug的具体细节如下:
main.py中:
parser.add_argument('--dataset_name', type=str, default='davis',
choices=['BindingDB', 'davis', 'enzyme', 'gpcr', 'ic', 'nr'])
parser.add_argument('--num_test', type=float, d…
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I am still a bit confused about this file.Take the first senqunece 'A0A016RYG7' in the 'gpcr_uniprot2triplets.json' as an example,there are 210 conserved positions.
I don't understand how to get th…
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Hey!
I've been trying to run this script, although I am getting some troubles, which I suspect it may be due to a divergence on libraries versions.
DeepChem 1.x (Requires RDKit)
Pandas (Predicti…
ghost updated
2 years ago
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Hi,
I am currently testing the GaMD protocol on "big" systems (GPCR with lipid membrane) and I have issues restarting some MD simulations that reached the time limit. It seems that for an unknown r…
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https://github.com/ProletRevDicta/Prolet/blob/08e912fae632ac7def50e836c4ff0265d3d66d75/The%20GPCRdatabase%20collected%20by%20Capitalist%20Scholars%2C%20including%20few%20documents%20forged%20by%20KMT%…
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instead of regression, in which scores may not be the optimal signal, and instead of classification where binarising may not be the whole story, why not try an estimator that learns to rank.
Can imp…
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The following report refers to the difficulties that I had when I tried to embed a GPCR to a mixed DMPC/cholesterol lipid bilayer. Specifically, parts of the protein were seriously deformed after appl…
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Hello, thank you for doing such a great job.
While I was reading the article, I wanted to run the code in the data set provided by Yamanishi et al.
Could you please provide a complete data set…