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QUBEKit
QUBEKit PublicForked from qubekit/QUBEKit
Quantum Mechanical Bespoke Force Field Derivation Toolkit
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QUBEKit-legacy
QUBEKit-legacy PublicDevelopment version of QuBeKit force field derivation software
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FEP-scripts
FEP-scripts PublicExample set up scripts for free energy calculations with SOMD
Jupyter Notebook 3
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- de-forcefields Public Forked from jthorton/de-forcefields
Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules
cole-group/de-forcefields’s past year of commit activity - FEgrow-linker Public Forked from cole-group/FEgrow
An Open-Source Molecular Builder and Free Energy Preparation Workflow
cole-group/FEgrow-linker’s past year of commit activity - QUBEKit2-data Public Forked from CRingrose94/QUBEKit2Testing
All relevant information and input files for the testing of QUBEKit 2
cole-group/QUBEKit2-data’s past year of commit activity - FEgrow-data Public
cole-group/FEgrow-data’s past year of commit activity