FCD | Fréchet ChemNet Distance : A quality measure | Analytics library
kandi X-RAY | FCD Summary
kandi X-RAY | FCD Summary
Fréchet ChemNet Distance: A quality measure for generative models for molecules
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Top functions reviewed by kandi - BETA
- Calculate the distance between two Gaussians .
- Get one - hot vectors .
- Load a reference model .
- Calculate the FCC distance between two molecules .
- Predict from a list of smiles .
- Build a loss function for a loss function .
- Calculate the accuracy .
- Get predictions from gen_mol .
- Convert a molecule to a canonical molecule .
- Convert a set of smiles to canonical form .
FCD Key Features
FCD Examples and Code Snippets
Community Discussions
Trending Discussions on FCD
QUESTION
I have to update a column Paying
in #temp
table value based on priority
column value the following code shows how I am selecting from the table
ANSWER
Answered 2021-May-10 at 08:20You need runnig total
QUESTION
perluniprops lists the Unicode properties of the version of Unicode it supports. For Perl 5.32.1, that's Unicode 13.0.0.
You can obtain a list of the characters that match a category using Unicode::Tussle's unichars
.
ANSWER
Answered 2021-Apr-19 at 19:36From the comments, I believe you are trying to port a Perl program using \p
regex properties to Python. You don't need a list of all categories (whatever that means); you just need to know what Code Points each of the property used by the program matches.
Now, you could get the list of Code Points from the Unicode database. But a much simpler solution is to use Python's regex module instead of the re module. This will give you access to the same Unicode-defined properties that Perl exposes.
The latest version of the regex module even uses Unicode 13.0.0 just like the latest Perl.
Note that the program uses \p{IsAlnum}
, a long way of writing \p{Alnum}
. \p{Alnum}
is not a standard Unicode property, but a Perl extension. It's the union of Unicode properties \p{Alpha}
and \p{Nd}
. I don't know know if the regex module defines Alnum
identically, but it probably does.
QUESTION
Suppose I've got a few functions that return Future
:
ANSWER
Answered 2021-Mar-20 at 10:30Why not:
QUESTION
ANSWER
Answered 2021-Mar-05 at 09:32Managed to resolve this, by uninstalling GNU Radio and removing the 'master' ppa repository sudo add-apt-repository ppa:gnuradio/gnuradio-master
, which was in one of the installation instructions I came across.
After that I simply installed GNU Radio using the standard 20.10 repositories and all works fine now.
QUESTION
I am trying to create a .csv file with the number of vehicles at a give point of time from an xml file.
...ANSWER
Answered 2020-Nov-21 at 12:05For this type of job, it's better to use xpath with lxml:
QUESTION
I'm on Prestashop 1.7.6. I made a simple test module for adding a custom carrier and manage it programmatically.
Everything works well during checkout: I see new carrier with the correct cost, if I select it the total of cart is correct! (the shipping cost is added).
After choosing the payment method and confirming the order (and I'm redirected to order confirmation page), the shipping costs disappear: is always free shipping!
I do not understand why..
I report the code of this test:
...ANSWER
Answered 2020-Sep-12 at 09:25Im my opinion it has something to do with your $curPage
I'd go for this if
instead:
if ($this->context->controller instanceof CartController || $this->context->controller instanceof OrderController) {
I don't understand this part of code:
QUESTION
I have the following code that gets a date from the user MM-DD-YYYY and validates that it is that format and then converts it to YYYY-MM-DD. Everything works right...mostly. However, I cannot figure out why when it gets to the YYYY part it stops validating. It is probably missing some code to check that.
...ANSWER
Answered 2020-Jul-18 at 12:37You can input
MM-DD-Y
and it accepts it as valid. It needs to verify thatYYYY
is the correct format.
You can extend the "--
" test as follows:
QUESTION
I want to save some plotly graph object figures as a svg file. My code looks like this:
...ANSWER
Answered 2020-Jul-17 at 16:54The backslash character \
is used as a special escape character in Python strings. In order to defeat this special processing you must either double them up as \\
or use a raw string.
QUESTION
My question is how to filter the set of xml data with the an array of values. Here the below jquery code and xml data. kind help to solve the issue. I had used the filter function though its not working
JS - Code
...ANSWER
Answered 2020-Apr-04 at 01:35The XML data is loaded and filtering the dynamic value and attributing it.
QUESTION
probably this has been answered before, but I was searching for a while and have not found a solution.
How can I concatenate strings with strings in a python list?
MWE:
...ANSWER
Answered 2020-Apr-01 at 20:47Use a list comprehension:
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