https://github.com/yaricom/activemolecules-c

The algorithm to build data model describing antigen - molecule reaction
https://github.com/yaricom/activemolecules-c

Last synced: 11 days ago
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The algorithm to build data model describing antigen - molecule reaction

• Host: GitHub
• URL: https://github.com/yaricom/activemolecules-c
• Owner: yaricom
• Created: 2016-05-03T14:02:57.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2016-05-03T15:18:55.000Z (over 8 years ago)
• Last Synced: 2024-11-05T15:51:55.190Z (about 2 months ago)
• Language: C++
• Homepage:
• Size: 2.18 MB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
## Overwiev ##

Provided with set of data describing complex molecules and experimentaly detected reactions with antigens the main task 

was to build and train data model able to rank new data sets in accordance with similarity to known molecules.

Thus it would be possible to make angtigen-molecule simulations instead of costly experiments.

It was done as part of crowdsourcing contest on TopCoder: [Contest: Active Molecules](https://community.topcoder.com/longcontest/stats/?module=ViewOverview&rd=16275)

### Special conditions ###

Additional requirement was to create crafted algorithm which may be compilled and runned in the AWS runner. With specified 

limitation in time of compilation, running and memory consumption.

The main algorithm runner implemented in: [ActiveMolecules.cpp](https://github.com/yaricom/activemolecules-c/blob/master/activemoleculesC%2B%2B/ActiveMolecules.cpp)