Pinned Repositories
Flush
Various programs for using 2D fingerprints (clustering, neighbourhood analysis, etc.).
Molecular-List-Logic
A web app to perform logic operations on various molecular lists
OEMicroservices
A collection of RESTful microservices built around OpenEye toolkits
Reflex3D
3D flexible alignment of molecules.
SMG
A program to generate 2D pharmacophore fingerprints.
SmiV
Program to display 2D structures of molecules, and create, edit and match SMARTS patterns. Think picto, with a slider.
TautEnum
Program to create tautomers and ionisation states relevant to physiological pH.
Template_CoMFA
Triphic
Pharmacophore tool based on OpenEye toolkits
TT_Tauts
Program to create a tautomer-independent compound representation, for use when registering compounds to a database.
OpenEye Public Contributions's Repositories
OpenEye-Contrib/Triphic
Pharmacophore tool based on OpenEye toolkits
OpenEye-Contrib/TautEnum
Program to create tautomers and ionisation states relevant to physiological pH.
OpenEye-Contrib/Flush
Various programs for using 2D fingerprints (clustering, neighbourhood analysis, etc.).
OpenEye-Contrib/OEMicroservices
A collection of RESTful microservices built around OpenEye toolkits
OpenEye-Contrib/Molecular-List-Logic
A web app to perform logic operations on various molecular lists
OpenEye-Contrib/Template_CoMFA
OpenEye-Contrib/Reflex3D
3D flexible alignment of molecules.
OpenEye-Contrib/SmiV
Program to display 2D structures of molecules, and create, edit and match SMARTS patterns. Think picto, with a slider.
OpenEye-Contrib/SMG
A program to generate 2D pharmacophore fingerprints.
OpenEye-Contrib/TT_Tauts
Program to create a tautomer-independent compound representation, for use when registering compounds to a database.