jppiquem

Distinguished Professor of Theoretical Chemistry. Project leader : Tinker-HP

Sorbonne UniversitéParis

Pinned Repositories

ddPCM
A fast domain decomposition based implementation of the COSMO solvation model
Language:Fortran0 0 00
forcebalance
Systematic force field optimization.
Language:Python00
poltype
POLTYPE AMOEBA parameterization tool
Language:Python0 0 00
tinker-hp
Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
Language:C81 13 2024

jppiquem's Repositories

jppiquem/ddPCM
A fast domain decomposition based implementation of the COSMO solvation model
Language:Fortran0 0 00
jppiquem/forcebalance
Systematic force field optimization.
Language:Python00
jppiquem/poltype
POLTYPE AMOEBA parameterization tool
Language:Python0 0 00