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johncfaver's Projects

bsse-dataset icon bsse-dataset

Dataset of molecular fragments from proteins and calculated BSSE magnitudes

bsse-estimator icon bsse-estimator

Estimates BSSE between two molecular fragments with emperical model.

clulig icon clulig

Python script to cluster MOL files by similarity

iddqd icon iddqd

Web app for managing data in drug design

mc_error_sim icon mc_error_sim

Simulation of Monte Carlo error propagation on a 1D Lennard-Jones surface

pysom icon pysom

self-organizing map tool in Python

pystore icon pystore

web app for storing, tagging, searching, viewing documents

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