MoLECoLab
MoLECoLab (Modeling Light & Environment in Complex Systems) is a research group at the Department of Chemistry of the University of Pisa.
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- pyQME Public
pyQME is a Package for Open Quantum System Dynamics and spectroscopies simulations in the exciton framework, written in Python 3.
Molecolab-Pisa/pyQME’s past year of commit activity - ML-server Public
Python script that allows sending energies and gradients to Sander (Amber) to perform QM/MM simulations.
Molecolab-Pisa/ML-server’s past year of commit activity - exat Public
Molecolab-Pisa/exat’s past year of commit activity - pyscf-openmmpol Public
Molecolab-Pisa/pyscf-openmmpol’s past year of commit activity - tinker-mndo Public Forked from TinkerTools/tinker
Tinker: Software Tools for Molecular Design - QM/MM interface for MNDO
Molecolab-Pisa/tinker-mndo’s past year of commit activity
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