Pinned Repositories
design_tools
A compilation of deep learning methods for protein design
AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
vermouth-martinize
Describe and apply transformation on molecular structures and topologies
Martini3-small-molecules
Martini 3 small-molecule database
poltype2
Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
tinker9
Tinker9: Next Generation of Tinker with GPU Support
agoliaei's Repositories
agoliaei/design_tools
A compilation of deep learning methods for protein design