Pinned Repositories
Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
CECAM-workshop
LammpsPostAnalysis
mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
Public-Presentations
Talks and presentations given by group members
PyLAT
Sigmaussian
SP_ML_CC
GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"
UNICAMP-workshop
This repository contains the files for the molecular simulation workshop at the State University of Campinas, Brazil.
widom_IL_examples
Examples showing how to perform Widom insertions with Cassandra on a trajectory generated by LAMMPS
Maginn Research Group's Repositories
MaginnGroup/PyLAT
MaginnGroup/Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
MaginnGroup/mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
MaginnGroup/SP_ML_CC
GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"
MaginnGroup/LammpsPostAnalysis
MaginnGroup/Sigmaussian
MaginnGroup/CECAM-workshop
MaginnGroup/mbuild
A hierarchical, component based molecule builder
MaginnGroup/Public-Presentations
Talks and presentations given by group members
MaginnGroup/UNICAMP-workshop
This repository contains the files for the molecular simulation workshop at the State University of Campinas, Brazil.
MaginnGroup/widom_IL_examples
Examples showing how to perform Widom insertions with Cassandra on a trajectory generated by LAMMPS
MaginnGroup/ACAL
MaginnGroup/Generic-Repository
MaginnGroup/HREX-workflow-source-code
Example files for Gromacs and scripts of HREX workflow
MaginnGroup/MBAR-Aimoli
Examples showing how to use MBAR with LAMMPS (see Fluid Phase Equil. 368, (2014) 80-90
MaginnGroup/CHCL-article-2024
MaginnGroup/GSP
MaginnGroup/Polarizable-GAFF-input-files
MaginnGroup/PSCP-article-2023
Additional information about the article "Revisiting the Pseudo-supercritical path Method: An Improved Formulation for the Alchemical Calculation of Solid-Liquid Coexistence"
MaginnGroup/Validation-of-HFC-FFs
This repository provides sample LAMMPS input, output and post-processing files/scripts for the paper on FF validation of R32 and R125 MLD-tuned FFs.
MaginnGroup/ViscAL