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rdkit-scripts
A collection of cheminformatics scripts that use rdkitqsar-tools
Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical datamd-scripts
A collections of scripts for working molecular dynamics simulationsOpen-Source-Molecular-Modelling
shapedb
show_contacts
PyMOL Plugin for displaying polar contactsGNINA-1.0
Paper for releaseconformer_analysis
slackfix
Hacks to make slack more usableMD2NMR
NMR Chemical Shifts from Molecular Dynamics Simulationpharmit
Open-source online virtual screening tools for large databasesasker.js
A simple jquery plugin for asking a question and recording the answernotebooks
leadit
Under developmentPharmit-Interactive-Exploration-of-Chemical-Space
gnina-celpp
asacalc
Solvent accessible surface area of PDB filesCommandLine2
This is a fork I made a long time ago of the LLVM commandline handling class since I liked it so much.surfacemaker
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