FCD | Fréchet ChemNet Distance : A quality measure | Analytics library

 by   bioinf-jku Python Version: 1.2.2 License: LGPL-3.0

kandi X-RAY | FCD Summary

kandi X-RAY | FCD Summary

FCD is a Python library typically used in Analytics, Pytorch, Generative adversarial networks applications. FCD has no bugs, it has no vulnerabilities, it has build file available, it has a Weak Copyleft License and it has low support. You can install using 'pip install FCD' or download it from GitHub, PyPI.

Fréchet ChemNet Distance: A quality measure for generative models for molecules
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            kandi-support Support

              FCD has a low active ecosystem.
              It has 43 star(s) with 17 fork(s). There are 8 watchers for this library.
              There were 3 major release(s) in the last 12 months.
              There are 0 open issues and 5 have been closed. On average issues are closed in 330 days. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of FCD is 1.2.2

            kandi-Quality Quality

              FCD has 0 bugs and 0 code smells.

            kandi-Security Security

              FCD has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.
              FCD code analysis shows 0 unresolved vulnerabilities.
              There are 0 security hotspots that need review.

            kandi-License License

              FCD is licensed under the LGPL-3.0 License. This license is Weak Copyleft.
              Weak Copyleft licenses have some restrictions, but you can use them in commercial projects.

            kandi-Reuse Reuse

              FCD releases are available to install and integrate.
              Deployable package is available in PyPI.
              Build file is available. You can build the component from source.
              Installation instructions, examples and code snippets are available.
              FCD saves you 71 person hours of effort in developing the same functionality from scratch.
              It has 183 lines of code, 13 functions and 4 files.
              It has low code complexity. Code complexity directly impacts maintainability of the code.

            Top functions reviewed by kandi - BETA

            kandi has reviewed FCD and discovered the below as its top functions. This is intended to give you an instant insight into FCD implemented functionality, and help decide if they suit your requirements.
            • 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 .
            Get all kandi verified functions for this library.

            FCD Key Features

            No Key Features are available at this moment for FCD.

            FCD Examples and Code Snippets

            Requirements
            Pythondot img1Lines of Code : 5dot img1License : Weak Copyleft (LGPL-3.0)
            copy iconCopy
            python>3<3.8
            numpy
            tensorflow>1.8
            keras>2.1
            scipy
              
            Fréchet ChemNet Distance,Installation
            Pythondot img2Lines of Code : 2dot img2License : Weak Copyleft (LGPL-3.0)
            copy iconCopy
            pip install fcd
            
            conda install rdkit -c rdkit
              

            Community Discussions

            QUESTION

            Update a column value based on priority SQL Server
            Asked 2021-May-10 at 08:23

            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 08:20

            QUESTION

            Is there a way to list all categories in perluniprops?
            Asked 2021-Apr-19 at 19:36

            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 19:36

            From 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.

            Source https://stackoverflow.com/questions/67138518

            QUESTION

            How to chain Scala Futures with timeouts?
            Asked 2021-Mar-20 at 15:44

            Suppose I've got a few functions that return Future:

            ...

            ANSWER

            Answered 2021-Mar-20 at 10:30

            QUESTION

            GNU Radio TypeError: primitive_connect(): incompatible function arguments when executing simple graph
            Asked 2021-Mar-05 at 09:32

            When trying to execute the following graph I get the error below. Any ideas what might be causing this? I'm on Ubuntu 20.10.

            ...

            ANSWER

            Answered 2021-Mar-05 at 09:32

            Managed 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.

            Source https://stackoverflow.com/questions/66466999

            QUESTION

            Extract and store(as csv) attribute tags from an xml file
            Asked 2020-Nov-21 at 12:05

            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 12:05

            For this type of job, it's better to use xpath with lxml:

            Source https://stackoverflow.com/questions/64936983

            QUESTION

            Prestashop shipping costs cleared after order confirmation
            Asked 2020-Sep-12 at 09:25

            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 09:25

            Im 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:

            Source https://stackoverflow.com/questions/63843140

            QUESTION

            Date validation in a Windows batch file
            Asked 2020-Jul-18 at 13:37

            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 12:37

            You can input MM-DD-Y and it accepts it as valid. It needs to verify that YYYY is the correct format.

            You can extend the "--" test as follows:

            Source https://stackoverflow.com/questions/62959167

            QUESTION

            plotly.io.write_image() changes my given filepath by adding "/" which makes the path useless
            Asked 2020-Jul-17 at 17:45

            I want to save some plotly graph object figures as a svg file. My code looks like this:

            ...

            ANSWER

            Answered 2020-Jul-17 at 16:54

            The 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.

            Source https://stackoverflow.com/questions/62958415

            QUESTION

            How to filter XML data with the array values in query
            Asked 2020-Apr-04 at 01:35

            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 01:35

            The XML data is loaded and filtering the dynamic value and attributing it.

            Source https://stackoverflow.com/questions/60888437

            QUESTION

            How to do string operations (concatenation) in a python list?
            Asked 2020-Apr-01 at 20:47

            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 20:47

            Use a list comprehension:

            Source https://stackoverflow.com/questions/60979977

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install FCD

            You can install the FCD using. rdkit is best install via conda.

            Support

            For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .
            Find more information at:

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            Install
          • PyPI

            pip install fcd

          • CLONE
          • HTTPS

            https://github.com/bioinf-jku/FCD.git

          • CLI

            gh repo clone bioinf-jku/FCD

          • sshUrl

            git@github.com:bioinf-jku/FCD.git

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