Pinned Repositories
benchmarking_platform
rdkit
The official sources for the RDKit library
customETKDG
PyGromosTools
This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
tdt-malaria-followup
benchmarking_platform
rdkit
The official sources for the RDKit library
TDT-tutorial-2014
Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted predictive models
UGM_2014
Materials from the 2014 RDKit UGM
UGM_2015
Materials from the 2015 RDKit UGM
sriniker's Repositories
sriniker/TDT-tutorial-2014
Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted predictive models
sriniker/rdkit
The official sources for the RDKit library
sriniker/benchmarking_platform
sriniker/UGM_2014
Materials from the 2014 RDKit UGM
sriniker/UGM_2015
Materials from the 2015 RDKit UGM