asad/centres
Perception and labelling of stereogenic centres in chemical structures
Developer Profile
asad
Discovered public repositories for asad in the GitHub catalog.
asad/R_scripts
some useful r-scripts
asad/hierarchical-clustering-java
Implementation of an agglomerative hierarchical clustering algorithm in Java. Different linkage approaches are supported.
asad/ShortestPathMoleculeFingerprinter
This is a hashed fingerprint based on the shortest path. The idea is to skip the exhaustive path based finger printers where the runtime is exponential.
asad/PatternSimilarity
Generic code for reporting similarity between two pattern vectors with weights
asad/cdk
The Chemistry Development Kit
asad/CDKHashFingerPrint
Improvised CDK Hashed fingerprint
asad/ThreadSMSD
How to run SMSD using Java Threads
asad/UnionMolecule
Union of two molecules
asad/GraphMST
Minimum/Maximum Spanning Tree (MST) algorithm for directed and undirected graphs
asad/SMSD
SMSD — exact substructure & MCS search for chemical graphs.
asad/Benchmark
Substructure code benchmarking
asad/jcp
JChemPaint
asad/VFLib
CDK compatible VF library for substructure and MCS search