Popular repositories Loading
-
QUBEKit
QUBEKit PublicForked from qubekit/QUBEKit
Quantum Mechanical Bespoke Force Field Derivation Toolkit
-
QUBEKit-legacy
QUBEKit-legacy PublicDevelopment version of QuBeKit force field derivation software
-
-
FEP-scripts
FEP-scripts PublicExample set up scripts for free energy calculations with SOMD
Jupyter Notebook 3
Repositories
- FEgrow_AL_data Public
Data to reproduce the study "Active learning driven prioritisation of compounds from on-demand libraries targeting the SARS-CoV-2 main protease"
cole-group/FEgrow_AL_data’s past year of commit activity - 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
