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I have compiled the Vina-GPU-2.1 in a Ubuntu 20 system (GPU) following the instructions with cuda 11.4 and boost 1.77 version, but face this error when trying to test the example.
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This is a start of a draft based on things that have been on my mind for the last few days. It will need to be expanded once we have tidy interface notes/recommendations. It should also be reorganized…
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While the manuscript reports an interesting development, it lacks two important components, listed below:
- [x] 1) Acknowledging previous works of electrostatic modeling of electrostatic potential …
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Pose your questions here for [Jake Hoffman](https://www.microsoft.com/en-us/research/people/jmh/) regarding his 5/16 talk on
**An illusion of predictability in scientific results.** In many fields th…
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我把bib改成了首字母,但是还是需要用花括号做大小写保持,请问可以自动加上吗
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Assuming incompressibility of the fluid, the viscous acceleration simplifies to
$$\frac{d\textbf{v}}{dt} = \frac{\eta}{\rho} \nabla^2 \textbf{v}$$
In Price 2012 the second derivative of a vector …
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Description:
API functionality to permit using variability information from the quantitative database as input for the variability assessment.
For more context see the google docs linked [here](ht…
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I've just found the 'Computational Modeling of Cognition and Behavior' book and reading through it to find r code is helpful but I was looking at rewriting it to python.
My ask is how much of the b…
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http://opig.stats.ox.ac.uk/webapps/sabdab-sabpred/Welcome.php
A useful overlay over PDB pulling out all antibody structures. Could be a useful source for building learning algorithms on antibodies.