GA | Augmenting genetic algorithms with deep neural networks | Machine Learning library
kandi X-RAY | GA Summary
kandi X-RAY | GA Summary
This repository contains code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space. A video summary of the paper can be found here:
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Top functions reviewed by kandi - BETA
- Estimate the fitness for a given discretization type
- Evaluate the given discriminator
- Calculate fitness for a given set of molecules
- Splits arr into chunks
- Concatenate a list of molecules
- Count the number of atoms in a molecule
- Gets basic information about a molecule
- Select the next generation molecule
- Sanitize smi
- Performs a random grin
- Calculate the score for a molecule
- Calculate the number of bridge head and spiro
- Read a fragment score file
- Calculate the SAS score for a given property
- Calculates the score for a molecule
- Calculates the logP for a given property
- Returns MolLogP object
- Compute the Discriminator loss
- Loads saved model
- Read dataset encoding
- Sanitize SMiles
- Get MolLogP from mol
- Calculate the penalty penalty penalty penalty penalty for each site
- Obtain discrm data
- Create empty directories
- Given a list of molecules and a list of mols return the smiles score
- Create the folder containing the results folder
- Get_multmol_info parameter from a list
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Trending Discussions on GA
QUESTION
I'm trying to use https://datatables.net/
Currently we load all the table data in advance and do paging on the client side, which is obviously a bad idea, however I was not able to find a good example of how paging can be done on the server side.
Clearly, I should use ajax option but the documentation is very poor, see https://datatables.net/reference/option/ajax
It says the syntax is as follows:
...ANSWER
Answered 2021-Jun-13 at 15:01It may be useful to summarize the main points in one place, for future visitors to this question:
Server-Side Requests
When using serverSide: true, DataTables sends an Ajax request to your server.
This request is generated automatically by DataTables whenever a table re-draw takes place (and when the table is first initialized). The main actions causing a re-draw are:
- the user performs a column sort
- the user performs a search/filter
- the user navigates to a different table page
There can be other triggers/events which also cause a redraw - but user-initiated sorting, filtering, and paging are the main ones.
The structure of that auto-generated Ajax request is described in the "Sent Parameters" section of this page.
This is how DataTables tells your server what sorting, filtering, or paging action just took place.
Your table will typically have a simple ajax section so DataTables knows where to send this request - for example:
QUESTION
It keeps telling me syntax error in FROM clause. Any thought on fixing this code? I followed the tutorial 100%, somehow this error keeps happen. Also I'm using VS2019 and Microsoft Access 365. This is visual basic .net form.
...ANSWER
Answered 2021-Jun-13 at 11:01I think you should use square brackets in table name: "Select * from [user log in] where [user_ID]='"
QUESTION
I have been trying to print two lines from the csv file to print horizontally and loop the next two lines and try to do the same.
The code which I have tried is
...ANSWER
Answered 2021-Jun-12 at 17:05You subject says "loop 3 lines" but the text in your question says "loop 2 lines" and it's not clear what the formula would be to get the output you say you want from the input you posted so... is this what you're trying to do?
QUESTION
(new in javascript)
I am asked to remove a country (China) from the dropdown menu of the plugin intl-tel-input
the code below displays the dropdown menu and it looks that it calls the utils.js file to retain the countries
...ANSWER
Answered 2021-Jun-11 at 12:14If you take a look at the intl-tel-input documentation regarding Initialisation Options. There is an option called excludeCountries.
We can modify your initialisation code to include this option to exclude China:
QUESTION
I have a combination of bar line chart JS and it has only one axes. what I want to do is to add a second axes on the right. image for code result with only one axes in the below link. Just want to know how can I add a second axes and set its values
my code below for the bar line chart html code:
...ANSWER
Answered 2021-Jun-09 at 19:52You where redefining and thus overriding your xAxes config a second time, if you change it to yAxes and add 2 objects in there you get 2 y axes, on the second on you can set position: 'right' to get it to the right of the chart, you only need to specify its ID in the right dataset to link that dataset to that y axis
Example:
QUESTION
Back in a few months ago, I registered an app in Azure AD B2C, defined identity experience policies and had the token decoded by https://jwt.ms successfully. I followed the steps outlines in this document, this one and also this document and it led me to success.
I needed to create another Azure AD B2C directory for a client and repeated the same steps in those articles to at least get the tokens decoded by https://jwt.ms but no luck at all! I am really baffled by why I keep getting the following screen when trying to run the policy despite I defined https://jwt.ms as a reply URL:
Could you please guide me what I am missing in this configuration?
...ANSWER
Answered 2021-Jun-09 at 19:25It only happens if you don’t have an AAD B2C application registration created in the directory.
Follow this https://docs.microsoft.com/en-us/azure/active-directory-b2c/tutorial-register-applications?tabs=app-reg-ga
The key step is this
Under Supported account types, select Accounts in any identity provider or organizational directory (for authenticating users with user flows).
QUESTION
The maven build of our project fails with this error:
...ANSWER
Answered 2021-Jun-08 at 14:52Those Yubico guys uses version ranges:
QUESTION
I'm using Google Analytics and that service has limit of 10 concurrent requests. I had to limit my API somehow, so I decided to use a semaphore, but it seems it doesn't work. All requests are triggered simultaneously. I can't find the problem in my code.
...ANSWER
Answered 2021-Jun-07 at 21:38All requests are triggered simultaneously.
Let's take a look here
QUESTION
ANSWER
Answered 2021-Jun-07 at 13:42The expected JSON result from your question is not the same as the JSON from the API!
You can use states.items.filter instead of states.filter but the API linked has no property abbr so it will return undefined:
QUESTION
I am trying to write a query where I need to calculate a percentage based on a condition in the case when statement. I have added the percentage logic but still it is not working.
My Tables
doctors
...ANSWER
Answered 2021-Jun-06 at 18:24One problem is the 50 / 100. This returns 0. Add a decimal point so the result is not an integer:
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