SAMPL8 | Challenge details , inputs , and results | Machine Learning library

by samplchallenges Python Version: 0.1.0 License: Non-SPDX

X-Ray Key Features Code Snippets Community Discussions(1)Vulnerabilities Install Support

kandi X-RAY | SAMPL8 Summary

SAMPL8 is a Python library typically used in Artificial Intelligence, Machine Learning, Deep Learning, Pytorch applications. SAMPL8 has no bugs, it has no vulnerabilities and it has low support. However SAMPL8 build file is not available and it has a Non-SPDX License. You can download it from GitHub.

The SAMPL8 phase of challenges included two new host-guest challenges (CB8 and Gibb's deep cavity cavitands). We are currently running our physical properties challenge with GSK (details below) including pKa and logD prediction.

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SAMPL8 has a low active ecosystem.

It has 12 star(s) with 6 fork(s). There are 11 watchers for this library.

It had no major release in the last 12 months.

There are 0 open issues and 4 have been closed. On average issues are closed in 7 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of SAMPL8 is 0.1.0

Quality

SAMPL8 has no bugs reported.

Security

SAMPL8 has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

SAMPL8 has a Non-SPDX License.

Non-SPDX licenses can be open source with a non SPDX compliant license, or non open source licenses, and you need to review them closely before use.

Reuse

SAMPL8 releases are available to install and integrate.

SAMPL8 has no build file. You will be need to create the build yourself to build the component from source.

Top functions reviewed by kandi - BETA

kandi has reviewed SAMPL8 and discovered the below as its top functions. This is intended to give you an instant insight into SAMPL8 implemented functionality, and help decide if they suit your requirements.

Generates a table of statistics tables
Gets bootstrap distribution distributions
Compute bootstrap statistics
Resample samples from a normal distribution
Plot bootstrap distribution distributions
Collect the bootstrap distribution plot
Get the performance stats for each solvent combination
Create a dataframe from a submission collection
Split the submission by the given names
Calculates the total population charge for a given number of atoms
Calculates the total pop charge for a given quantity
Get the correlation statistics for each submission
Calculate the correlation statistics for each submission
Extract popular transitions from experimental data
Calculate the pKaError statistics for each molecule
Creates a pandas dataframe containing the logD data
Return the name of a method
Generate a paper table with statistics
Loads the sections from the given file
Load ranked submissions
Split the given names_to_separate
Computes the KL coefficient of DG
Computes the DG and DG
Computes the TDS and derivative of the TDS
Load all submissions from a given directory
Calculates the total population charge for a given molecular charge
Calculates the total pop charge for a specific type

Get all kandi verified functions for this library.

SAMPL8 Key Features

No Key Features are available at this moment for SAMPL8.

SAMPL8 Examples and Code Snippets

No Code Snippets are available at this moment for SAMPL8.

Community Discussions

Trending Discussions on SAMPL8

How to add a ; after a given instance using Python 3

QUESTION

How to add a ; after a given instance using Python 3

Asked 2019-Jun-04 at 18:03

So, I have a txt file that has the below content in it:

...

ANSWER

Answered 2019-Jun-04 at 17:45

You can just find the exact strings using regex and replace it like below. Using set just to make sure we are not replacing duplicates.

Source https://stackoverflow.com/questions/56448839

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

Vulnerabilities

No vulnerabilities reported

Install SAMPL8

You can download it from GitHub.
You can use SAMPL8 like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

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 .

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