Project successfully completed with new tool (we named ‘RF-CUDA Package’) coded in Python language was created. The Random Forest Classifier on CUDA for Ligand based virtual screening was installed and executed on Linux platform.
I-Processing:1) Serial 2) CUDA
Processes involved in Virtual screen:
- Preprocessing data for Training
- Preprocessing data for Classification
- Virtual Screening(Classification)
Reviewing the SCOPE of this Project:
- CUDA is a parallel computing platform and programming model invented by NVIDIA. It enables dramatic increases in computing performance by harnessing the power of the graphics processing unit (GPU).
- In ligand-based drug design, a model may be created from compounds with known experimental data and activity against a biological target.
We Shall start a new song….
OSDD applies the open source philosophy, “many eyeballs makes the bug shallow” to the science of drug discovery.