Pinned Repositories
ACCDB
A Computational Chemistry DataBase
bitbirch
BitBIRCH clustering algorithm
DiverseSelector
Methods for selecting diverse (molecular) database.
dl-chem-101
Example implementations of common machine learning projects in chemistry.
eSALI_libraries
extended-ensemble
Flik
An experimental local optimization package
hydrogen-models-data
Reference data for 1-3D hydrogen models of strong correlation
juliaMetaprogramming
Introduction to Julia MetaProgramming
time-MultipleComparisons
ramirandaq's Repositories
ramirandaq/ACCDB
A Computational Chemistry DataBase
ramirandaq/bitbirch
BitBIRCH clustering algorithm
ramirandaq/DiverseSelector
Methods for selecting diverse (molecular) database.
ramirandaq/dl-chem-101
Example implementations of common machine learning projects in chemistry.
ramirandaq/eSALI_libraries
ramirandaq/extended-ensemble
ramirandaq/Flik
An experimental local optimization package
ramirandaq/hydrogen-models-data
Reference data for 1-3D hydrogen models of strong correlation
ramirandaq/juliaMetaprogramming
Introduction to Julia MetaProgramming
ramirandaq/time-MultipleComparisons