GLN | Retrosynthesis Prediction with Conditional Graph Logic | Graph Database library

 by   Hanjun-Dai Python Version: Current License: MIT

kandi X-RAY | GLN Summary

kandi X-RAY | GLN Summary

GLN is a Python library typically used in Database, Graph Database applications. GLN has no bugs, it has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. You can download it from GitHub.

Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network.
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            kandi-support Support

              GLN has a low active ecosystem.
              It has 94 star(s) with 22 fork(s). There are 10 watchers for this library.
              OutlinedDot
              It had no major release in the last 6 months.
              There are 6 open issues and 10 have been closed. On average issues are closed in 29 days. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of GLN is current.

            kandi-Quality Quality

              GLN has 0 bugs and 0 code smells.

            kandi-Security Security

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

            kandi-License License

              GLN is licensed under the MIT License. This license is Permissive.
              Permissive licenses have the least restrictions, and you can use them in most projects.

            kandi-Reuse Reuse

              GLN releases are not available. You will need to build from source code and install.
              Build file is available. You can build the component from source.
              Installation instructions, examples and code snippets are available.

            Top functions reviewed by kandi - BETA

            kandi has reviewed GLN and discovered the below as its top functions. This is intended to give you an instant insight into GLN implemented functionality, and help decide if they suit your requirements.
            • Runs an RDKit using rdchiral .
            • Enumerate all possible cistrans definition of a template .
            • Return the fragment fragments for a list of modified atoms .
            • extract reaction from reaction dict
            • Returns a list of all the atoms of a double bond .
            • Find the differences between two products
            • Restore bond to sp2 atom .
            • Determine if an atom matches a chiral template .
            • Calculate parity .
            • Combine all enantiomers into one .
            Get all kandi verified functions for this library.

            GLN Key Features

            No Key Features are available at this moment for GLN.

            GLN Examples and Code Snippets

            No Code Snippets are available at this moment for GLN.

            Community Discussions

            QUESTION

            How do I export a dataframe produced by R?
            Asked 2022-Apr-14 at 16:47

            I fail to export a dataframe produced by uco(seqinr) function in rscu computation. What means should I use?. The dataframe is not showing in r environment either, it only remain in the console. Have tried so much copying it to excel, word, notepad in vain. Could someone help?

            ...

            ANSWER

            Answered 2022-Apr-14 at 16:47

            First of all, store the output of the function in a variable, e.g.:

            Source https://stackoverflow.com/questions/71874756

            QUESTION

            Why do i get two outputs?
            Asked 2022-Apr-11 at 19:05

            I've been writing this code for my biology class. The idea is the user inputs teh DNA and the code outputs the respective mRNA and aminoacid sequence of it.It worked pretty much without any error but then i noticed it sometimes gives two outputs instead of one. (For example "Ile Met " instead of "Met") Also i know my code is a mess so can you please help by that too, which parts and how should i change?

            ...

            ANSWER

            Answered 2022-Apr-11 at 10:37

            I am suspicious of all of your conditions of the form mrna[k * 3 + 2] == 'U' || 'C' || 'A'. That doesn't check mrna[k * 3 + 2] against any of the three letters, it is unconditionally true.

            I would also advise against using char [100]. You are already reading into a std::string, that also has operator[], and it also has operator==.

            You are also (potentially) indexing past the end of your data. Your loop condition is k < n, where n is the "length" of mrna, but you index mrna[k * 3]. Either change the condition, or change how you index.

            But what I would most suggest is to replace the long string of ifs with a std::map, which you can populate for each triple.

            Source https://stackoverflow.com/questions/71825869

            QUESTION

            awk: processing log and search pattern
            Asked 2022-Apr-03 at 05:11

            I am working with the log filles arranged in the following format:

            ...

            ANSWER

            Answered 2022-Apr-01 at 13:19
            $ awk -vn=1 '/GLU 166 N/ {gsub(/.*\.|\/\?/,"",$2); n=$2; exit} END {print n}' file
            3
            $ awk -vn=1 '/GLU 166 N/ {gsub(/.*\.|\/\?/,"",$2); n=$2; exit} END {print n}' /dev/null
            1
            

            Source https://stackoverflow.com/questions/71705228

            QUESTION

            Hibernate JOIN [some entity] ON unexpected token
            Asked 2022-Apr-02 at 10:11

            I use Hibernate 5.4.32.Final, when I try to execute this query via spring data:

            ...

            ANSWER

            Answered 2022-Apr-02 at 10:11

            The @Queryannotation expects JPQL by default which has its own syntax. As far as I know, you can not do someting like JOIN .. ON in JPQL . I do not know the association between your entities but it should look someting like this:

            Source https://stackoverflow.com/questions/70374973

            QUESTION

            Stacked Bar Chart with multiple variables in python
            Asked 2022-Mar-28 at 23:44

            So I'm struggling to solve a basic problem with some of the data I have and I can't seem to get round it. I have this data table

            Amino Acid Agaricus bisporus Aspergillus nidulans Bipolaris maydis CYS 0 0 0 ASP 0 0 0 GLU 0 0 0 PHE 0 0 0 GLY 0 0 0 HIS 0 0 0 ILE 0 0 0 LYS 10 7 16 LEU 0 0 0 MET 0 0 0 ASN 9 15 15 PRO 0 0 0 GLN 11 13 4 ARG 13 16 21 SER 11 13 8 THR 9 11 9 VAL 0 0 0 TRP 8 7 6 TYR 9 6 7

            I can't for the life of me figure out how to convert this into a stacked bar chart that looks like this. I need the colours to represent the different Amino acids. Honestly I've been awake for 30 hours at this point so any help would be appreciated.

            I've tried to convert to a long format however that still creates the same issue as before. When I use the default plot setting this is what I get

            ...

            ANSWER

            Answered 2022-Mar-28 at 23:44

            For a stacked barplot via pandas, each of the columns will be converted to a layer of bars. The index of the dataframe will be used as the x-axis.

            In the given dataframe, you seem to want the columns for the x-axis. Using .T to transpose the dataframe (exchanging rows and columns), will help. First, you'll need to set the amino acids as index.

            Source https://stackoverflow.com/questions/71654486

            QUESTION

            sed: pattern search in segmented data
            Asked 2022-Mar-10 at 17:26

            I am operating with the data separated on several parts using ---, where the ID of the block is indicated at the begining as the begining of each block

            ...

            ANSWER

            Answered 2022-Mar-10 at 17:26

            Assumptions:

            • a block 'name' always occurs at the beginning of the line, contains no white space, and is terminated with a :
            • no other lines start with what could erroneously be considered a block 'name' (ie, no other lines start with ^:)

            One awk idea:

            Source https://stackoverflow.com/questions/71427585

            QUESTION

            sed: remove spaces from the log using regular expression
            Asked 2022-Mar-09 at 09:25

            i am dealing with the log consisted of many lines in the following format:

            ...

            ANSWER

            Answered 2022-Mar-09 at 09:25

            QUESTION

            sed: removing dublicated patterns in the log file
            Asked 2022-Mar-08 at 12:45

            I am working with post-processing of the log file arranged in the following format:

            ...

            ANSWER

            Answered 2022-Mar-08 at 12:41

            QUESTION

            Trying to get spaces between codons and stop the generation when reaching a certain codon for RNA to protein simulation
            Asked 2022-Feb-11 at 00:21

            Here's some things I need help with.
            But first of all, please let me pull up the code first.

            ...

            ANSWER

            Answered 2022-Feb-11 at 00:21

            Assuming you're trying to print everything prior to 'STOP' sliced into 3 characters each, here's an extension of your main function:

            Source https://stackoverflow.com/questions/71073711

            QUESTION

            RNA to Protein simulation program's TypeErorr?
            Asked 2022-Feb-10 at 00:47

            Here's what I'm doing:

            ...

            ANSWER

            Answered 2022-Feb-10 at 00:00

            I would first rewrite your

            Source https://stackoverflow.com/questions/71058139

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

            Vulnerabilities

            No vulnerabilities reported

            Install GLN

            Install package
            This package requires the rdkit and pytorch. For rdkit, we tested with 2019_03_3. Please build the package from source and setup the PYTHONPATH and LD_LIBRARY_PATH properly, as this package requires the dynamic lib built from rdkit. For pytorch, we tested from 1.2.0 to 1.3.1. Please don't use versions older than that, as this package contains c++ customized ops which relies on specific toolchains from pytorch.
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            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 .
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            gh repo clone Hanjun-Dai/GLN

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            git@github.com:Hanjun-Dai/GLN.git

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