SRP
From Shannon.psc.edu Wiki
| SRP | |
|---|---|
| Project | SRP |
| Description | Specific Reaction Parameterization |
Specific Reaction Parameter (SRP) generation tool utilizing the fDynamo, GAUL, and S-Lang (DGS) libraries.
Installation instructions are here
A tutorial explaining why we need and how to use srp can be found here
Examples
These are example input scripts to srp These are the Examples for the SRP-slang interface
| Name | Description | |
|---|---|---|
| SRP/Examples/Basic | Basic Example | Shows how to set up a GA |
| SRP/Examples/Checkpoint-restart | Check point/restart | Shows how to save a population to a file and then read it back again |
| SRP/Examples/Importing Parameters | Importing Parameters into fDynamo | Imports paramters into fDynamo to use in simulations |
| SRP/Examples/Set params in SL file | Set Parameters | Set initial parameters (used instead of canonical ones) and static parameters, which are used to evaluate the entity, but no changed |
| SRP/Examples/Training and test populations | Training and Test Populations | Uses one set of molecules to optimize over, and then another to test the parameters with |
| SRP/Tutorial1.sl | Simple Example | Shows how to set up a GA |
References
S-Lang function reference shows all functions and constants which can be called from S-Lang.
